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-3f55268f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7q4l_rna-3f55268f/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 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-3f55268f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7q4l_rna-3f55268f/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 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-3f55268f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7q4l_rna-3f55268f/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 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-3f55268f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7q4l_rna-3f55268f/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 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-3f55268f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7q4l_rna-3f55268f/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 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-3f55268f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7q4l_rna-3f55268f/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 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-3f55268f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7q4l_rna-3f55268f/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 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-3f55268f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7q4l_rna-3f55268f/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 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-3f55268f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7q4l_rna-3f55268f/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 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-3f55268f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7q4l_rna-3f55268f/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 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: 5 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -37.898987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.898987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.898987 (E_RNA) where: Base-Base interactions energy: -11.118 where: short stacking energy: -11.118 Base-Backbone interact. energy: -0.000 local terms energy: -26.781257 where: bonds (distance) C4'-P energy: -6.257 bonds (distance) P-C4' energy: -6.762 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -4.420 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: 3, replica: 1 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -37.604629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.604629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.604629 (E_RNA) where: Base-Base interactions energy: -10.309 where: short stacking energy: -10.309 Base-Backbone interact. energy: -0.022 local terms energy: -27.272956 where: bonds (distance) C4'-P energy: -5.604 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.810 flat angles P-C4'-P energy: -5.107 tors. eta vs tors. theta energy: -2.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 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: 3 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -41.793056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.793056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.793056 (E_RNA) where: Base-Base interactions energy: -14.058 where: short stacking energy: -14.058 Base-Backbone interact. energy: -0.000 local terms energy: -27.735076 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.851 flat angles P-C4'-P energy: -3.607 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: 2, replica: 5 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -42.001588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.001588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.001588 (E_RNA) where: Base-Base interactions energy: -12.053 where: short stacking energy: -12.053 Base-Backbone interact. energy: -0.000 local terms energy: -29.949013 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.004 flat angles P-C4'-P energy: -2.283 tors. eta vs tors. theta energy: -7.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 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: 1 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -33.220290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.220290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.220290 (E_RNA) where: Base-Base interactions energy: -10.877 where: short stacking energy: -10.877 Base-Backbone interact. energy: -0.005 local terms energy: -22.337721 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -3.549 flat angles P-C4'-P energy: -3.884 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: 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: 6 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -27.334264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.334264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.334264 (E_RNA) where: Base-Base interactions energy: -2.670 where: short stacking energy: -2.670 Base-Backbone interact. energy: -0.068 local terms energy: -24.596652 where: bonds (distance) C4'-P energy: -4.792 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.992 flat angles P-C4'-P energy: -4.391 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: 10, replica: 8 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -26.053885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.053885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.053885 (E_RNA) where: Base-Base interactions energy: -7.649 where: short stacking energy: -6.408 Base-Backbone interact. energy: -0.042 local terms energy: -18.362622 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -5.677 flat angles P-C4'-P energy: -1.739 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: 1, replica: 3 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -41.628152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.628152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.628152 (E_RNA) where: Base-Base interactions energy: -15.067 where: short stacking energy: -15.067 Base-Backbone interact. energy: -0.058 local terms energy: -26.503010 where: bonds (distance) C4'-P energy: -3.960 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -6.725 flat angles P-C4'-P energy: -5.765 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: 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: 5 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -38.235096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.235096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.235096 (E_RNA) where: Base-Base interactions energy: -9.968 where: short stacking energy: -9.968 Base-Backbone interact. energy: -0.056 local terms energy: -28.210902 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -5.871 flat angles C4'-P-C4' energy: -6.877 flat angles P-C4'-P energy: -4.878 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: 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: 1 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -32.679944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.679944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.679944 (E_RNA) where: Base-Base interactions energy: -7.837 where: short stacking energy: -7.837 Base-Backbone interact. energy: -0.009 local terms energy: -24.834220 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -5.652 flat angles P-C4'-P energy: -2.002 tors. eta vs tors. theta energy: -2.447 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: 10 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -37.117099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.117099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.117099 (E_RNA) where: Base-Base interactions energy: -11.590 where: short stacking energy: -11.590 Base-Backbone interact. energy: -0.176 local terms energy: -25.350954 where: bonds (distance) C4'-P energy: -4.580 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.933 flat angles P-C4'-P energy: -4.100 tors. eta vs tors. theta energy: -3.182 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: 7, replica: 2 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -28.268882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.268882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.268882 (E_RNA) where: Base-Base interactions energy: -6.680 where: short stacking energy: -6.680 Base-Backbone interact. energy: -0.008 local terms energy: -21.580865 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -6.324 flat angles C4'-P-C4' energy: -6.038 flat angles P-C4'-P energy: -4.644 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: 6 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -29.769705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.769705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.769705 (E_RNA) where: Base-Base interactions energy: -6.966 where: short stacking energy: -6.966 Base-Backbone interact. energy: -0.873 local terms energy: -21.930766 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -6.554 flat angles C4'-P-C4' energy: -5.769 flat angles P-C4'-P energy: -1.833 tors. eta vs tors. theta energy: -0.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 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: 8 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -30.696644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.696644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.696644 (E_RNA) where: Base-Base interactions energy: -7.748 where: short stacking energy: -7.748 Base-Backbone interact. energy: -0.005 local terms energy: -22.943249 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -3.840 flat angles P-C4'-P energy: -4.977 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: 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: 3 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -37.410590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.410590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.410590 (E_RNA) where: Base-Base interactions energy: -11.685 where: short stacking energy: -11.685 Base-Backbone interact. energy: -0.055 local terms energy: -25.670868 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -4.722 flat angles P-C4'-P energy: -5.299 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: 3, replica: 5 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -36.855927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.855927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.855927 (E_RNA) where: Base-Base interactions energy: -7.731 where: short stacking energy: -7.731 Base-Backbone interact. energy: -0.001 local terms energy: -29.123801 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -7.111 flat angles P-C4'-P energy: -4.609 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: 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: 10 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -33.463734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.463734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.463734 (E_RNA) where: Base-Base interactions energy: -8.236 where: short stacking energy: -8.236 Base-Backbone interact. energy: -0.003 local terms energy: -25.225320 where: bonds (distance) C4'-P energy: -4.552 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.195 flat angles P-C4'-P energy: -4.260 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: 6, replica: 1 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -33.749155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.749155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.749155 (E_RNA) where: Base-Base interactions energy: -9.889 where: short stacking energy: -9.889 Base-Backbone interact. energy: -0.073 local terms energy: -23.786986 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -5.127 flat angles P-C4'-P energy: -3.799 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: 7, replica: 6 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -32.928133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.928133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.928133 (E_RNA) where: Base-Base interactions energy: -9.038 where: short stacking energy: -9.038 Base-Backbone interact. energy: -0.059 local terms energy: -23.832046 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -5.994 flat angles C4'-P-C4' energy: -6.694 flat angles P-C4'-P energy: -3.745 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: 8, replica: 2 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -28.679573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.679573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.679573 (E_RNA) where: Base-Base interactions energy: -6.279 where: short stacking energy: -6.279 Base-Backbone interact. energy: -0.000 local terms energy: -22.400186 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.771 flat angles P-C4'-P energy: -2.904 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: 9, replica: 8 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -30.624087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.624087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.624087 (E_RNA) where: Base-Base interactions energy: -6.322 where: short stacking energy: -6.322 Base-Backbone interact. energy: -0.091 local terms energy: -24.211115 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.284 flat angles P-C4'-P energy: -4.966 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: 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: 5 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -38.165619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.165619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.165619 (E_RNA) where: Base-Base interactions energy: -7.649 where: short stacking energy: -7.649 Base-Backbone interact. energy: -0.074 local terms energy: -30.442595 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.373 flat angles P-C4'-P energy: -5.312 tors. eta vs tors. theta energy: -4.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -35.272818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.272818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.272818 (E_RNA) where: Base-Base interactions energy: -8.755 where: short stacking energy: -8.755 Base-Backbone interact. energy: -0.000 local terms energy: -26.517484 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -3.846 flat angles P-C4'-P energy: -6.340 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: 10 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -37.926371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.926371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.926371 (E_RNA) where: Base-Base interactions energy: -11.830 where: short stacking energy: -11.830 Base-Backbone interact. energy: -0.000 local terms energy: -26.096070 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -2.737 flat angles C4'-P-C4' energy: -6.759 flat angles P-C4'-P energy: -5.183 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: 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: 6 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -30.956029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.956029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.956029 (E_RNA) where: Base-Base interactions energy: -6.650 where: short stacking energy: -6.650 Base-Backbone interact. energy: -0.188 local terms energy: -24.118737 where: bonds (distance) C4'-P energy: -5.981 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -5.521 flat angles P-C4'-P energy: -5.726 tors. eta vs tors. theta energy: -0.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -34.555915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.555915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.555915 (E_RNA) where: Base-Base interactions energy: -11.807 where: short stacking energy: -11.807 Base-Backbone interact. energy: -0.007 local terms energy: -22.741769 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -5.286 flat angles P-C4'-P energy: -3.582 tors. eta vs tors. theta energy: -1.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -34.187466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.187466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.187466 (E_RNA) where: Base-Base interactions energy: -8.443 where: short stacking energy: -8.443 Base-Backbone interact. energy: -0.448 local terms energy: -25.296639 where: bonds (distance) C4'-P energy: -4.730 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.014 flat angles P-C4'-P energy: -4.004 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: 9, replica: 2 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -29.850154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.850154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.850154 (E_RNA) where: Base-Base interactions energy: -3.948 where: short stacking energy: -3.948 Base-Backbone interact. energy: -0.042 local terms energy: -25.860373 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.760 flat angles P-C4'-P energy: -4.177 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: 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: 7 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -35.909676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.909676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.909676 (E_RNA) where: Base-Base interactions energy: -13.724 where: short stacking energy: -12.914 Base-Backbone interact. energy: 0.086 local terms energy: -22.272174 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -6.830 flat angles P-C4'-P energy: -1.815 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: 2, replica: 5 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -38.950523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.950523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.950523 (E_RNA) where: Base-Base interactions energy: -10.689 where: short stacking energy: -10.689 Base-Backbone interact. energy: -0.016 local terms energy: -28.245639 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.917 flat angles P-C4'-P energy: -5.236 tors. eta vs tors. theta energy: -3.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -34.812619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.812619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.812619 (E_RNA) where: Base-Base interactions energy: -9.256 where: short stacking energy: -9.256 Base-Backbone interact. energy: -0.000 local terms energy: -25.556234 where: bonds (distance) C4'-P energy: -4.490 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.470 flat angles P-C4'-P energy: -4.028 tors. eta vs tors. theta energy: -4.006 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: 10 Temperature: 1.050000 Total energy: -31.732598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.732598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.732598 (E_RNA) where: Base-Base interactions energy: -7.131 where: short stacking energy: -7.131 Base-Backbone interact. energy: -0.000 local terms energy: -24.601228 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -7.140 flat angles P-C4'-P energy: -4.091 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: 5, replica: 6 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -32.214964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.214964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.214964 (E_RNA) where: Base-Base interactions energy: -8.045 where: short stacking energy: -8.045 Base-Backbone interact. energy: -0.066 local terms energy: -24.104024 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -4.619 flat angles P-C4'-P energy: -3.715 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: 6, replica: 9 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -31.554828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.554828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.554828 (E_RNA) where: Base-Base interactions energy: -9.022 where: short stacking energy: -9.022 Base-Backbone interact. energy: -0.002 local terms energy: -22.530705 where: bonds (distance) C4'-P energy: -6.125 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -2.051 flat angles P-C4'-P energy: -5.822 tors. eta vs tors. theta energy: -0.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -31.522829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.522829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.522829 (E_RNA) where: Base-Base interactions energy: -7.013 where: short stacking energy: -7.013 Base-Backbone interact. energy: -0.004 local terms energy: -24.505771 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: -4.347 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: 1 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -29.911681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.911681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.911681 (E_RNA) where: Base-Base interactions energy: -10.477 where: short stacking energy: -10.477 Base-Backbone interact. energy: -0.198 local terms energy: -19.236135 where: bonds (distance) C4'-P energy: -3.360 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.751 flat angles P-C4'-P energy: -2.927 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: 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: 2 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -31.588218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.588218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.588218 (E_RNA) where: Base-Base interactions energy: -6.328 where: short stacking energy: -6.328 Base-Backbone interact. energy: -0.089 local terms energy: -25.171897 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -3.419 flat angles P-C4'-P energy: -4.914 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: 1, replica: 7 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -39.949101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.949101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.949101 (E_RNA) where: Base-Base interactions energy: -13.637 where: short stacking energy: -13.637 Base-Backbone interact. energy: -0.001 local terms energy: -26.311712 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.471 flat angles P-C4'-P energy: -2.572 tors. eta vs tors. theta energy: -3.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -36.079485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.079485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.079485 (E_RNA) where: Base-Base interactions energy: -9.457 where: short stacking energy: -9.912 Base-Backbone interact. energy: -0.004 local terms energy: -26.618538 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.451 flat angles P-C4'-P energy: -5.268 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: 3, replica: 5 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -31.917904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.917904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.917904 (E_RNA) where: Base-Base interactions energy: -6.948 where: short stacking energy: -6.948 Base-Backbone interact. energy: -0.336 local terms energy: -24.634221 where: bonds (distance) C4'-P energy: -7.425 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.967 flat angles P-C4'-P energy: -4.703 tors. eta vs tors. theta energy: 1.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -34.049419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.049419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.049419 (E_RNA) where: Base-Base interactions energy: -7.594 where: short stacking energy: -7.594 Base-Backbone interact. energy: -0.007 local terms energy: -26.449102 where: bonds (distance) C4'-P energy: -6.580 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -6.592 flat angles P-C4'-P energy: -4.069 tors. eta vs tors. theta energy: -2.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -35.558442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.558442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.558442 (E_RNA) where: Base-Base interactions energy: -10.126 where: short stacking energy: -10.126 Base-Backbone interact. energy: -0.437 local terms energy: -24.994893 where: bonds (distance) C4'-P energy: -4.961 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.457 flat angles P-C4'-P energy: -3.557 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: 6, replica: 8 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -36.485073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.485073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.485073 (E_RNA) where: Base-Base interactions energy: -11.125 where: short stacking energy: -11.125 Base-Backbone interact. energy: -0.010 local terms energy: -25.350159 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -6.741 flat angles P-C4'-P energy: -1.743 tors. eta vs tors. theta energy: -3.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -32.868566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.868566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.868566 (E_RNA) where: Base-Base interactions energy: -8.616 where: short stacking energy: -8.472 Base-Backbone interact. energy: -0.097 local terms energy: -24.155470 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.823 flat angles C4'-P-C4' energy: -7.393 flat angles P-C4'-P energy: -3.024 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: 8, replica: 1 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -31.149812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.149812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.149812 (E_RNA) where: Base-Base interactions energy: -7.004 where: short stacking energy: -7.004 Base-Backbone interact. energy: -0.039 local terms energy: -24.106781 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.616 flat angles P-C4'-P energy: -5.389 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: 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: 2 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -27.535413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.535413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.535413 (E_RNA) where: Base-Base interactions energy: -2.359 where: short stacking energy: -2.359 Base-Backbone interact. energy: -0.015 local terms energy: -25.161624 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -6.353 flat angles P-C4'-P energy: -5.480 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: 10 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -34.945639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.945639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.945639 (E_RNA) where: Base-Base interactions energy: -9.491 where: short stacking energy: -9.491 Base-Backbone interact. energy: -0.027 local terms energy: -25.427785 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -5.885 flat angles P-C4'-P energy: -2.499 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: 2, replica: 7 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -36.277008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.277008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.277008 (E_RNA) where: Base-Base interactions energy: -11.743 where: short stacking energy: -11.743 Base-Backbone interact. energy: -0.016 local terms energy: -24.517671 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -5.881 flat angles P-C4'-P energy: -4.875 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: 3, replica: 6 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -35.811583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.811583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.811583 (E_RNA) where: Base-Base interactions energy: -12.203 where: short stacking energy: -12.203 Base-Backbone interact. energy: -0.001 local terms energy: -23.607843 where: bonds (distance) C4'-P energy: -5.641 bonds (distance) P-C4' energy: -4.470 flat angles C4'-P-C4' energy: -5.687 flat angles P-C4'-P energy: -4.115 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: 4, replica: 5 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -36.200651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.200651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.200651 (E_RNA) where: Base-Base interactions energy: -8.809 where: short stacking energy: -8.809 Base-Backbone interact. energy: -0.027 local terms energy: -27.365455 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.394 flat angles P-C4'-P energy: -3.830 tors. eta vs tors. theta energy: -2.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -34.264939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.264939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.264939 (E_RNA) where: Base-Base interactions energy: -7.907 where: short stacking energy: -7.399 Base-Backbone interact. energy: -0.118 local terms energy: -26.240643 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -7.190 flat angles P-C4'-P energy: -4.903 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: 6, replica: 3 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -29.967510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.967510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.967510 (E_RNA) where: Base-Base interactions energy: -7.616 where: short stacking energy: -6.734 Base-Backbone interact. energy: -0.694 local terms energy: -21.657700 where: bonds (distance) C4'-P energy: -6.017 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -4.358 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: 7, replica: 1 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -31.388780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.388780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.388780 (E_RNA) where: Base-Base interactions energy: -6.316 where: short stacking energy: -6.316 Base-Backbone interact. energy: -0.001 local terms energy: -25.072323 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -5.675 flat angles P-C4'-P energy: -4.751 tors. eta vs tors. theta energy: -1.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -27.740580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.740580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.740580 (E_RNA) where: Base-Base interactions energy: -7.383 where: short stacking energy: -7.383 Base-Backbone interact. energy: -0.027 local terms energy: -20.331336 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -5.058 flat angles C4'-P-C4' energy: -5.939 flat angles P-C4'-P energy: -1.873 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: 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: 2 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -29.407322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.407322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.407322 (E_RNA) where: Base-Base interactions energy: -8.115 where: short stacking energy: -8.115 Base-Backbone interact. energy: -0.194 local terms energy: -21.098200 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -3.117 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: 1, replica: 10 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -36.141893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.141893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.141893 (E_RNA) where: Base-Base interactions energy: -11.269 where: short stacking energy: -11.269 Base-Backbone interact. energy: -0.011 local terms energy: -24.862712 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -5.585 flat angles C4'-P-C4' energy: -7.182 flat angles P-C4'-P energy: -3.786 tors. eta vs tors. theta energy: -1.857 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: 7 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -37.355189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.355189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.355189 (E_RNA) where: Base-Base interactions energy: -11.251 where: short stacking energy: -11.251 Base-Backbone interact. energy: -0.062 local terms energy: -26.042682 where: bonds (distance) C4'-P energy: -6.267 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.529 flat angles P-C4'-P energy: -4.318 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: 3, replica: 6 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -37.958899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.958899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.958899 (E_RNA) where: Base-Base interactions energy: -11.577 where: short stacking energy: -11.577 Base-Backbone interact. energy: -0.006 local terms energy: -26.375649 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.699 flat angles P-C4'-P energy: -4.372 tors. eta vs tors. theta energy: -3.071 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: 4, replica: 8 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -35.096762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.096762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.096762 (E_RNA) where: Base-Base interactions energy: -9.653 where: short stacking energy: -9.653 Base-Backbone interact. energy: -0.092 local terms energy: -25.351371 where: bonds (distance) C4'-P energy: -5.889 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.882 flat angles P-C4'-P energy: -4.415 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: 5, replica: 5 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -35.204217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.204217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.204217 (E_RNA) where: Base-Base interactions energy: -10.488 where: short stacking energy: -10.488 Base-Backbone interact. energy: -0.003 local terms energy: -24.712778 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.857 flat angles C4'-P-C4' energy: -6.090 flat angles P-C4'-P energy: -3.158 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: 6, replica: 1 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -39.811892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.811892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.811892 (E_RNA) where: Base-Base interactions energy: -11.453 where: short stacking energy: -11.453 Base-Backbone interact. energy: -0.001 local terms energy: -28.358087 where: bonds (distance) C4'-P energy: -4.705 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.540 flat angles P-C4'-P energy: -5.922 tors. eta vs tors. theta energy: -3.657 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: 3 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -36.457946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.457946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.457946 (E_RNA) where: Base-Base interactions energy: -10.053 where: short stacking energy: -10.053 Base-Backbone interact. energy: -0.461 local terms energy: -25.943870 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: -5.320 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: 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: 9 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -26.540000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.540000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.540000 (E_RNA) where: Base-Base interactions energy: -2.948 where: short stacking energy: -2.948 Base-Backbone interact. energy: -0.000 local terms energy: -23.591919 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.154 flat angles P-C4'-P energy: -4.684 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: 10, replica: 2 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -37.320657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.320657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.320657 (E_RNA) where: Base-Base interactions energy: -12.678 where: short stacking energy: -12.678 Base-Backbone interact. energy: -0.004 local terms energy: -24.638316 where: bonds (distance) C4'-P energy: -4.217 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.316 flat angles P-C4'-P energy: -3.805 tors. eta vs tors. theta energy: -3.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -37.856538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.856538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.856538 (E_RNA) where: Base-Base interactions energy: -10.917 where: short stacking energy: -10.917 Base-Backbone interact. energy: -0.002 local terms energy: -26.937615 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.973 flat angles P-C4'-P energy: -3.433 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: 2, replica: 10 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -38.168296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.168296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.168296 (E_RNA) where: Base-Base interactions energy: -14.525 where: short stacking energy: -14.525 Base-Backbone interact. energy: -0.088 local terms energy: -23.555055 where: bonds (distance) C4'-P energy: -4.821 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -4.680 flat angles P-C4'-P energy: -5.500 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: 3, replica: 8 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -37.118897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.118897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.118897 (E_RNA) where: Base-Base interactions energy: -9.141 where: short stacking energy: -9.141 Base-Backbone interact. energy: -0.096 local terms energy: -27.881719 where: bonds (distance) C4'-P energy: -5.625 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -7.412 flat angles P-C4'-P energy: -5.359 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: 4, replica: 6 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -36.510157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.510157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.510157 (E_RNA) where: Base-Base interactions energy: -11.726 where: short stacking energy: -11.726 Base-Backbone interact. energy: -0.000 local terms energy: -24.784142 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -6.364 flat angles P-C4'-P energy: -2.153 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: 5, replica: 1 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -32.388874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.388874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.388874 (E_RNA) where: Base-Base interactions energy: -11.046 where: short stacking energy: -8.376 Base-Backbone interact. energy: -0.143 local terms energy: -21.200555 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -6.222 flat angles P-C4'-P energy: -1.870 tors. eta vs tors. theta energy: 0.453 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: 5 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -31.284549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.284549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.284549 (E_RNA) where: Base-Base interactions energy: -10.635 where: short stacking energy: -10.635 Base-Backbone interact. energy: -0.031 local terms energy: -20.618408 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.259 flat angles C4'-P-C4' energy: -6.376 flat angles P-C4'-P energy: -2.476 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: 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: 3 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -31.575235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.575235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.575235 (E_RNA) where: Base-Base interactions energy: -7.189 where: short stacking energy: -6.048 Base-Backbone interact. energy: -1.189 local terms energy: -23.197651 where: bonds (distance) C4'-P energy: -5.418 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -3.534 flat angles P-C4'-P energy: -5.040 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: 2 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -30.019517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.019517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.019517 (E_RNA) where: Base-Base interactions energy: -6.963 where: short stacking energy: -6.963 Base-Backbone interact. energy: -0.194 local terms energy: -22.862959 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.558 flat angles P-C4'-P energy: -2.329 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: 9 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -31.391660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.391660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.391660 (E_RNA) where: Base-Base interactions energy: -7.750 where: short stacking energy: -7.750 Base-Backbone interact. energy: -0.094 local terms energy: -23.548008 where: bonds (distance) C4'-P energy: -4.590 bonds (distance) P-C4' energy: -6.985 flat angles C4'-P-C4' energy: -6.600 flat angles P-C4'-P energy: -3.128 tors. eta vs tors. theta energy: -2.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -36.372157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.372157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.372157 (E_RNA) where: Base-Base interactions energy: -9.839 where: short stacking energy: -9.839 Base-Backbone interact. energy: -0.000 local terms energy: -26.532548 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -6.053 flat angles P-C4'-P energy: -5.057 tors. eta vs tors. theta energy: -2.947 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: 8 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -42.101675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.101675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.101675 (E_RNA) where: Base-Base interactions energy: -15.775 where: short stacking energy: -15.775 Base-Backbone interact. energy: -0.000 local terms energy: -26.326342 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -3.310 flat angles P-C4'-P energy: -4.378 tors. eta vs tors. theta energy: -6.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -40.609400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.609400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.609400 (E_RNA) where: Base-Base interactions energy: -15.575 where: short stacking energy: -15.575 Base-Backbone interact. energy: -0.000 local terms energy: -25.033978 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -6.372 flat angles P-C4'-P energy: -1.383 tors. eta vs tors. theta energy: -4.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -36.317201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.317201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.317201 (E_RNA) where: Base-Base interactions energy: -9.608 where: short stacking energy: -9.608 Base-Backbone interact. energy: -0.001 local terms energy: -26.708135 where: bonds (distance) C4'-P energy: -5.222 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.889 flat angles P-C4'-P energy: -5.164 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: 5, replica: 6 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -32.500282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.500282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.500282 (E_RNA) where: Base-Base interactions energy: -6.412 where: short stacking energy: -6.412 Base-Backbone interact. energy: -0.004 local terms energy: -26.084321 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -6.024 tors. eta vs tors. theta energy: -1.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 5 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -30.416850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.416850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.416850 (E_RNA) where: Base-Base interactions energy: -4.503 where: short stacking energy: -4.503 Base-Backbone interact. energy: -0.036 local terms energy: -25.878080 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -4.844 flat angles P-C4'-P energy: -4.965 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: 8, replica: 2 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -27.630218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.630218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.630218 (E_RNA) where: Base-Base interactions energy: -7.657 where: short stacking energy: -7.657 Base-Backbone interact. energy: -0.000 local terms energy: -19.972933 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.824 flat angles P-C4'-P energy: -0.605 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: 3 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -29.455260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.455260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.455260 (E_RNA) where: Base-Base interactions energy: -3.571 where: short stacking energy: -3.571 Base-Backbone interact. energy: -0.021 local terms energy: -25.863226 where: bonds (distance) C4'-P energy: -4.776 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -6.483 flat angles P-C4'-P energy: -5.969 tors. eta vs tors. theta energy: -0.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -28.862878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.862878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.862878 (E_RNA) where: Base-Base interactions energy: -7.130 where: short stacking energy: -7.130 Base-Backbone interact. energy: -0.106 local terms energy: -21.626734 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.757 flat angles P-C4'-P energy: -4.628 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: 1, replica: 8 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -36.915611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.915611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.915611 (E_RNA) where: Base-Base interactions energy: -13.195 where: short stacking energy: -13.195 Base-Backbone interact. energy: -0.006 local terms energy: -23.714304 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.616 flat angles P-C4'-P energy: -4.150 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: 2, replica: 7 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -41.409881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.409881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.409881 (E_RNA) where: Base-Base interactions energy: -15.923 where: short stacking energy: -15.923 Base-Backbone interact. energy: -0.000 local terms energy: -25.486913 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -7.465 flat angles P-C4'-P energy: -2.902 tors. eta vs tors. theta energy: -2.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -35.589355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.589355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.589355 (E_RNA) where: Base-Base interactions energy: -9.124 where: short stacking energy: -9.124 Base-Backbone interact. energy: -0.000 local terms energy: -26.465304 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.684 flat angles P-C4'-P energy: -2.482 tors. eta vs tors. theta energy: -4.128 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: 10 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -38.175948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.175948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.175948 (E_RNA) where: Base-Base interactions energy: -14.830 where: short stacking energy: -14.830 Base-Backbone interact. energy: -0.000 local terms energy: -23.345433 where: bonds (distance) C4'-P energy: -2.813 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -4.040 flat angles P-C4'-P energy: -3.648 tors. eta vs tors. theta energy: -5.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -33.491388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.491388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.491388 (E_RNA) where: Base-Base interactions energy: -7.202 where: short stacking energy: -7.202 Base-Backbone interact. energy: -0.098 local terms energy: -26.190689 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.414 flat angles P-C4'-P energy: -5.496 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: 6, replica: 4 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -29.827364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.827364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.827364 (E_RNA) where: Base-Base interactions energy: -8.332 where: short stacking energy: -8.332 Base-Backbone interact. energy: -0.122 local terms energy: -21.372777 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.168 flat angles P-C4'-P energy: -2.922 tors. eta vs tors. theta energy: 1.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -28.762404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.762404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.762404 (E_RNA) where: Base-Base interactions energy: -5.987 where: short stacking energy: -5.987 Base-Backbone interact. energy: -0.000 local terms energy: -22.774994 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -4.772 flat angles P-C4'-P energy: -2.371 tors. eta vs tors. theta energy: -2.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -29.846806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.846806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.846806 (E_RNA) where: Base-Base interactions energy: -6.121 where: short stacking energy: -6.121 Base-Backbone interact. energy: -0.006 local terms energy: -23.719908 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.196 flat angles P-C4'-P energy: -4.186 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: 9, replica: 9 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -29.119915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.119915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.119915 (E_RNA) where: Base-Base interactions energy: -7.818 where: short stacking energy: -7.818 Base-Backbone interact. energy: -0.001 local terms energy: -21.300221 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -3.591 flat angles P-C4'-P energy: -4.705 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: 10, replica: 3 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -26.390775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.390775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.390775 (E_RNA) where: Base-Base interactions energy: -7.113 where: short stacking energy: -7.113 Base-Backbone interact. energy: -0.007 local terms energy: -19.270690 where: bonds (distance) C4'-P energy: -5.609 bonds (distance) P-C4' energy: -5.978 flat angles C4'-P-C4' energy: -3.586 flat angles P-C4'-P energy: -3.716 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: 8 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -42.271329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.271329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.271329 (E_RNA) where: Base-Base interactions energy: -14.351 where: short stacking energy: -7.885 Base-Backbone interact. energy: -0.525 local terms energy: -27.395475 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -4.356 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: 1 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -40.950634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.950634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.950634 (E_RNA) where: Base-Base interactions energy: -10.722 where: short stacking energy: -10.722 Base-Backbone interact. energy: -0.000 local terms energy: -30.228806 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -6.688 flat angles P-C4'-P energy: -4.961 tors. eta vs tors. theta energy: -5.653 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: 3, replica: 7 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -40.013201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.013201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.013201 (E_RNA) where: Base-Base interactions energy: -13.690 where: short stacking energy: -13.690 Base-Backbone interact. energy: -0.000 local terms energy: -26.323402 where: bonds (distance) C4'-P energy: -6.017 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.948 flat angles P-C4'-P energy: -2.805 tors. eta vs tors. theta energy: -3.438 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: 10 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -39.433736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.433736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.433736 (E_RNA) where: Base-Base interactions energy: -12.531 where: short stacking energy: -12.531 Base-Backbone interact. energy: -0.019 local terms energy: -26.882995 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -6.752 flat angles C4'-P-C4' energy: -5.919 flat angles P-C4'-P energy: -4.083 tors. eta vs tors. theta energy: -3.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -38.337666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.337666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.337666 (E_RNA) where: Base-Base interactions energy: -8.625 where: short stacking energy: -8.625 Base-Backbone interact. energy: -0.000 local terms energy: -29.712602 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -7.303 flat angles P-C4'-P energy: -4.243 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: 6, replica: 4 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -31.172266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.172266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.172266 (E_RNA) where: Base-Base interactions energy: -6.116 where: short stacking energy: -6.116 Base-Backbone interact. energy: 1.042 local terms energy: -26.097889 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.005 flat angles P-C4'-P energy: -5.260 tors. eta vs tors. theta energy: -1.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -31.797075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.797075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.797075 (E_RNA) where: Base-Base interactions energy: -8.160 where: short stacking energy: -8.160 Base-Backbone interact. energy: -0.003 local terms energy: -23.634646 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -4.970 flat angles P-C4'-P energy: -3.111 tors. eta vs tors. theta energy: -2.930 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: 8, replica: 9 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -37.402883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.402883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.402883 (E_RNA) where: Base-Base interactions energy: -9.194 where: short stacking energy: -9.194 Base-Backbone interact. energy: -0.043 local terms energy: -28.166268 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -5.185 tors. eta vs tors. theta energy: -5.008 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: 9, replica: 5 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -28.985630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.985630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.985630 (E_RNA) where: Base-Base interactions energy: -7.716 where: short stacking energy: -7.716 Base-Backbone interact. energy: -0.025 local terms energy: -21.244276 where: bonds (distance) C4'-P energy: -5.173 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.324 flat angles P-C4'-P energy: -5.456 tors. eta vs tors. theta energy: 2.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -28.454018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.454018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.454018 (E_RNA) where: Base-Base interactions energy: -9.522 where: short stacking energy: -9.522 Base-Backbone interact. energy: -0.065 local terms energy: -18.867398 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -1.614 flat angles P-C4'-P energy: -1.971 tors. eta vs tors. theta energy: -2.418 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: 8 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -33.850300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.850300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.850300 (E_RNA) where: Base-Base interactions energy: -8.950 where: short stacking energy: -8.950 Base-Backbone interact. energy: -0.104 local terms energy: -24.796311 where: bonds (distance) C4'-P energy: -6.838 bonds (distance) P-C4' energy: -6.330 flat angles C4'-P-C4' energy: -5.454 flat angles P-C4'-P energy: -4.023 tors. eta vs tors. theta energy: -2.152 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: 1 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -39.113708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.113708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.113708 (E_RNA) where: Base-Base interactions energy: -11.420 where: short stacking energy: -11.420 Base-Backbone interact. energy: -0.095 local terms energy: -27.599012 where: bonds (distance) C4'-P energy: -6.660 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -4.814 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: 10 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -36.165132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.165132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.165132 (E_RNA) where: Base-Base interactions energy: -12.697 where: short stacking energy: -12.829 Base-Backbone interact. energy: -0.347 local terms energy: -23.121320 where: bonds (distance) C4'-P energy: -5.008 bonds (distance) P-C4' energy: -5.952 flat angles C4'-P-C4' energy: -7.427 flat angles P-C4'-P energy: -2.085 tors. eta vs tors. theta energy: -2.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -29.798435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.798435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.798435 (E_RNA) where: Base-Base interactions energy: -7.676 where: short stacking energy: -7.676 Base-Backbone interact. energy: -0.096 local terms energy: -22.026224 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -2.995 flat angles P-C4'-P energy: -4.519 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: 4 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -36.788409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.788409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.788409 (E_RNA) where: Base-Base interactions energy: -11.621 where: short stacking energy: -11.621 Base-Backbone interact. energy: -0.004 local terms energy: -25.163677 where: bonds (distance) C4'-P energy: -5.619 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -3.644 flat angles P-C4'-P energy: -4.823 tors. eta vs tors. theta energy: -3.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -29.337046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.337046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.337046 (E_RNA) where: Base-Base interactions energy: -4.072 where: short stacking energy: -4.072 Base-Backbone interact. energy: -0.736 local terms energy: -24.529047 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.145 flat angles P-C4'-P energy: -4.410 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: 7, replica: 9 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -28.439891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.439891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.439891 (E_RNA) where: Base-Base interactions energy: -8.630 where: short stacking energy: -8.730 Base-Backbone interact. energy: -0.001 local terms energy: -19.808254 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -6.602 flat angles P-C4'-P energy: -0.730 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: 8, replica: 2 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -32.104531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.104531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.104531 (E_RNA) where: Base-Base interactions energy: -10.201 where: short stacking energy: -10.201 Base-Backbone interact. energy: -0.000 local terms energy: -21.903533 where: bonds (distance) C4'-P energy: -1.778 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -7.077 flat angles P-C4'-P energy: -4.012 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: 9, replica: 5 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -31.630956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.630956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.630956 (E_RNA) where: Base-Base interactions energy: -7.533 where: short stacking energy: -7.533 Base-Backbone interact. energy: -0.006 local terms energy: -24.091265 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -6.295 flat angles P-C4'-P energy: -4.156 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: 3 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -26.664609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.664609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.664609 (E_RNA) where: Base-Base interactions energy: -7.533 where: short stacking energy: -7.533 Base-Backbone interact. energy: -0.062 local terms energy: -19.069512 where: bonds (distance) C4'-P energy: -4.742 bonds (distance) P-C4' energy: -4.001 flat angles C4'-P-C4' energy: -4.733 flat angles P-C4'-P energy: -3.388 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: 1, replica: 8 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -43.593522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.593522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.593522 (E_RNA) where: Base-Base interactions energy: -15.512 where: short stacking energy: -15.512 Base-Backbone interact. energy: -0.001 local terms energy: -28.080562 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.048 flat angles P-C4'-P energy: -5.613 tors. eta vs tors. theta energy: -4.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -42.111939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.111939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.111939 (E_RNA) where: Base-Base interactions energy: -13.844 where: short stacking energy: -13.844 Base-Backbone interact. energy: -0.000 local terms energy: -28.267354 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.290 flat angles P-C4'-P energy: -4.818 tors. eta vs tors. theta energy: -4.903 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: 1 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -40.479805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.479805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.479805 (E_RNA) where: Base-Base interactions energy: -16.350 where: short stacking energy: -16.350 Base-Backbone interact. energy: -0.002 local terms energy: -24.127150 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.652 flat angles C4'-P-C4' energy: -7.708 flat angles P-C4'-P energy: -5.075 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: 4, replica: 4 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -35.546385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.546385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.546385 (E_RNA) where: Base-Base interactions energy: -6.669 where: short stacking energy: -6.669 Base-Backbone interact. energy: -0.003 local terms energy: -28.874533 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -7.097 flat angles P-C4'-P energy: -5.343 tors. eta vs tors. theta energy: -2.566 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: 19 Temperature: 1.100000 Total energy: -33.838038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.838038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.838038 (E_RNA) where: Base-Base interactions energy: -6.891 where: short stacking energy: -6.891 Base-Backbone interact. energy: -0.164 local terms energy: -26.782620 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.583 flat angles P-C4'-P energy: -4.925 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: 6, replica: 9 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -29.055179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.055179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.055179 (E_RNA) where: Base-Base interactions energy: -5.828 where: short stacking energy: -5.828 Base-Backbone interact. energy: -0.024 local terms energy: -23.203393 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -5.051 flat angles P-C4'-P energy: -4.909 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: 7, replica: 6 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -33.939288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.939288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.939288 (E_RNA) where: Base-Base interactions energy: -9.252 where: short stacking energy: -9.252 Base-Backbone interact. energy: -0.000 local terms energy: -24.686835 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -5.103 flat angles P-C4'-P energy: -3.480 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: 8, replica: 5 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -30.942013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.942013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.942013 (E_RNA) where: Base-Base interactions energy: -7.437 where: short stacking energy: -7.437 Base-Backbone interact. energy: -0.000 local terms energy: -23.504978 where: bonds (distance) C4'-P energy: -3.836 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.035 flat angles P-C4'-P energy: -3.815 tors. eta vs tors. theta energy: -2.257 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: 2 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -30.580466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.580466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.580466 (E_RNA) where: Base-Base interactions energy: -8.390 where: short stacking energy: -7.954 Base-Backbone interact. energy: -0.005 local terms energy: -22.185513 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -4.953 flat angles P-C4'-P energy: -4.681 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: 10, replica: 3 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -33.807856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.807856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.807856 (E_RNA) where: Base-Base interactions energy: -8.068 where: short stacking energy: -8.068 Base-Backbone interact. energy: -0.113 local terms energy: -25.627497 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -4.942 tors. eta vs tors. theta energy: -0.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -35.526129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.526129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.526129 (E_RNA) where: Base-Base interactions energy: -10.849 where: short stacking energy: -10.849 Base-Backbone interact. energy: -0.096 local terms energy: -24.581124 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -3.205 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: 2, replica: 8 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -37.337019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.337019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.337019 (E_RNA) where: Base-Base interactions energy: -12.823 where: short stacking energy: -11.935 Base-Backbone interact. energy: -0.056 local terms energy: -24.457766 where: bonds (distance) C4'-P energy: -5.719 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -6.121 flat angles P-C4'-P energy: -3.579 tors. eta vs tors. theta energy: -2.417 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: 4 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -33.235999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.235999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.235999 (E_RNA) where: Base-Base interactions energy: -6.511 where: short stacking energy: -6.511 Base-Backbone interact. energy: -0.001 local terms energy: -26.724834 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.391 flat angles P-C4'-P energy: -3.910 tors. eta vs tors. theta energy: -2.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -32.558198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.558198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.558198 (E_RNA) where: Base-Base interactions energy: -7.361 where: short stacking energy: -7.361 Base-Backbone interact. energy: -0.001 local terms energy: -25.195823 where: bonds (distance) C4'-P energy: -5.707 bonds (distance) P-C4' energy: -6.029 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -4.693 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: 5, replica: 9 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -35.842221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.842221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.842221 (E_RNA) where: Base-Base interactions energy: -11.061 where: short stacking energy: -11.061 Base-Backbone interact. energy: -0.071 local terms energy: -24.710771 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.831 flat angles P-C4'-P energy: -2.750 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: 6, replica: 7 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -33.392574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.392574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.392574 (E_RNA) where: Base-Base interactions energy: -7.612 where: short stacking energy: -5.890 Base-Backbone interact. energy: -0.191 local terms energy: -25.589159 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.748 flat angles P-C4'-P energy: -4.042 tors. eta vs tors. theta energy: -1.145 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: 5 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -27.382939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.382939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.382939 (E_RNA) where: Base-Base interactions energy: -4.366 where: short stacking energy: -4.366 Base-Backbone interact. energy: -0.032 local terms energy: -22.985291 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -5.458 flat angles P-C4'-P energy: -4.512 tors. eta vs tors. theta energy: -1.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -29.320818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.320818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.320818 (E_RNA) where: Base-Base interactions energy: -6.841 where: short stacking energy: -6.841 Base-Backbone interact. energy: -0.110 local terms energy: -22.370527 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -4.039 flat angles P-C4'-P energy: -3.670 tors. eta vs tors. theta energy: -0.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -31.383224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.383224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.383224 (E_RNA) where: Base-Base interactions energy: -10.265 where: short stacking energy: -10.265 Base-Backbone interact. energy: -0.006 local terms energy: -21.112968 where: bonds (distance) C4'-P energy: -6.113 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -4.910 flat angles P-C4'-P energy: -1.563 tors. eta vs tors. theta energy: -2.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -27.987082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.987082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.987082 (E_RNA) where: Base-Base interactions energy: -5.908 where: short stacking energy: -5.908 Base-Backbone interact. energy: -0.000 local terms energy: -22.079566 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: -1.343 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: 1, replica: 10 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -38.315307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.315307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.315307 (E_RNA) where: Base-Base interactions energy: -13.379 where: short stacking energy: -13.379 Base-Backbone interact. energy: -0.006 local terms energy: -24.930303 where: bonds (distance) C4'-P energy: -6.407 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -1.362 flat angles P-C4'-P energy: -3.789 tors. eta vs tors. theta energy: -5.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -34.206073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.206073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.206073 (E_RNA) where: Base-Base interactions energy: -7.994 where: short stacking energy: -7.994 Base-Backbone interact. energy: -0.061 local terms energy: -26.150959 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.284 flat angles P-C4'-P energy: -5.805 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: 3, replica: 8 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -36.492930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.492930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.492930 (E_RNA) where: Base-Base interactions energy: -11.061 where: short stacking energy: -11.061 Base-Backbone interact. energy: -0.000 local terms energy: -25.431640 where: bonds (distance) C4'-P energy: -5.209 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.956 flat angles P-C4'-P energy: -2.235 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: 4, replica: 9 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -35.825980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.825980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.825980 (E_RNA) where: Base-Base interactions energy: -9.602 where: short stacking energy: -9.602 Base-Backbone interact. energy: -0.023 local terms energy: -26.200380 where: bonds (distance) C4'-P energy: -5.139 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.426 flat angles P-C4'-P energy: -4.528 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: 5, replica: 1 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -32.506572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.506572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.506572 (E_RNA) where: Base-Base interactions energy: -7.086 where: short stacking energy: -7.086 Base-Backbone interact. energy: -0.051 local terms energy: -25.369574 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.299 flat angles P-C4'-P energy: -4.322 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: 6, replica: 5 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -38.546349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.546349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.546349 (E_RNA) where: Base-Base interactions energy: -11.046 where: short stacking energy: -9.461 Base-Backbone interact. energy: -0.005 local terms energy: -27.495349 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.401 flat angles P-C4'-P energy: -4.402 tors. eta vs tors. theta energy: -4.937 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: 7, replica: 7 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -28.579158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.579158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.579158 (E_RNA) where: Base-Base interactions energy: -10.532 where: short stacking energy: -10.532 Base-Backbone interact. energy: -0.019 local terms energy: -18.028325 where: bonds (distance) C4'-P energy: -5.627 bonds (distance) P-C4' energy: -3.765 flat angles C4'-P-C4' energy: -5.371 flat angles P-C4'-P energy: -1.098 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: 21 Temperature: 1.250000 Total energy: -27.540201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.540201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.540201 (E_RNA) where: Base-Base interactions energy: -4.512 where: short stacking energy: -4.512 Base-Backbone interact. energy: -0.630 local terms energy: -22.397905 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -5.112 tors. eta vs tors. theta energy: 2.406 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: 6 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -28.723814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.723814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.723814 (E_RNA) where: Base-Base interactions energy: -6.379 where: short stacking energy: -6.379 Base-Backbone interact. energy: -0.026 local terms energy: -22.319177 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -3.694 flat angles C4'-P-C4' energy: -6.028 flat angles P-C4'-P energy: -4.937 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: 10, replica: 2 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -29.985900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.985900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.985900 (E_RNA) where: Base-Base interactions energy: -4.320 where: short stacking energy: -4.320 Base-Backbone interact. energy: -0.001 local terms energy: -25.664666 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.189 flat angles P-C4'-P energy: -3.192 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: 1, replica: 4 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -39.581835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.581835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.581835 (E_RNA) where: Base-Base interactions energy: -12.479 where: short stacking energy: -12.479 Base-Backbone interact. energy: -0.010 local terms energy: -27.092726 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -5.542 flat angles P-C4'-P energy: -3.506 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: 10 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -38.790576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.790576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.790576 (E_RNA) where: Base-Base interactions energy: -10.389 where: short stacking energy: -10.389 Base-Backbone interact. energy: -0.000 local terms energy: -28.401730 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -5.679 tors. eta vs tors. theta energy: -3.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -40.425161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.425161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.425161 (E_RNA) where: Base-Base interactions energy: -11.770 where: short stacking energy: -11.770 Base-Backbone interact. energy: -0.000 local terms energy: -28.654999 where: bonds (distance) C4'-P energy: -6.660 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -6.549 flat angles P-C4'-P energy: -5.866 tors. eta vs tors. theta energy: -3.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -35.103966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.103966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.103966 (E_RNA) where: Base-Base interactions energy: -9.951 where: short stacking energy: -9.951 Base-Backbone interact. energy: -0.477 local terms energy: -24.675964 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -6.823 flat angles C4'-P-C4' energy: -5.292 flat angles P-C4'-P energy: -4.321 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: 5, replica: 5 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -33.075157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.075157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.075157 (E_RNA) where: Base-Base interactions energy: -12.538 where: short stacking energy: -12.538 Base-Backbone interact. energy: -0.003 local terms energy: -20.534480 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -4.470 flat angles C4'-P-C4' energy: -2.643 flat angles P-C4'-P energy: -4.106 tors. eta vs tors. theta energy: -3.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -33.249655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.249655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.249655 (E_RNA) where: Base-Base interactions energy: -7.908 where: short stacking energy: -7.908 Base-Backbone interact. energy: -0.000 local terms energy: -25.341424 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -5.994 flat angles C4'-P-C4' energy: -4.660 flat angles P-C4'-P energy: -4.218 tors. eta vs tors. theta energy: -3.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -35.769137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.769137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.769137 (E_RNA) where: Base-Base interactions energy: -8.767 where: short stacking energy: -8.767 Base-Backbone interact. energy: -0.000 local terms energy: -27.001608 where: bonds (distance) C4'-P energy: -5.351 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -6.466 flat angles P-C4'-P energy: -5.220 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: 8, replica: 7 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -28.750497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.750497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.750497 (E_RNA) where: Base-Base interactions energy: -6.749 where: short stacking energy: -7.307 Base-Backbone interact. energy: -0.002 local terms energy: -21.999887 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -6.145 flat angles P-C4'-P energy: -3.606 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: 9, replica: 6 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -30.148300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.148300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.148300 (E_RNA) where: Base-Base interactions energy: -9.217 where: short stacking energy: -9.217 Base-Backbone interact. energy: -0.001 local terms energy: -20.930701 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.379 flat angles P-C4'-P energy: -4.054 tors. eta vs tors. theta energy: 0.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -28.667377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.667377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.667377 (E_RNA) where: Base-Base interactions energy: -4.649 where: short stacking energy: -4.649 Base-Backbone interact. energy: -0.008 local terms energy: -24.010197 where: bonds (distance) C4'-P energy: -7.425 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -6.128 flat angles P-C4'-P energy: -4.285 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: 1, replica: 4 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -31.907704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.907704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.907704 (E_RNA) where: Base-Base interactions energy: -6.651 where: short stacking energy: -6.651 Base-Backbone interact. energy: -0.101 local terms energy: -25.155047 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -4.287 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: 23 Temperature: 0.950000 Total energy: -37.335863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.335863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.335863 (E_RNA) where: Base-Base interactions energy: -9.309 where: short stacking energy: -9.309 Base-Backbone interact. energy: -0.008 local terms energy: -28.018535 where: bonds (distance) C4'-P energy: -7.032 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -6.041 flat angles P-C4'-P energy: -5.526 tors. eta vs tors. theta energy: -4.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -38.932710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.932710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.932710 (E_RNA) where: Base-Base interactions energy: -12.687 where: short stacking energy: -12.687 Base-Backbone interact. energy: -0.001 local terms energy: -26.245180 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -5.686 flat angles P-C4'-P energy: -4.285 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: 4, replica: 5 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -36.603581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.603581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.603581 (E_RNA) where: Base-Base interactions energy: -10.384 where: short stacking energy: -10.384 Base-Backbone interact. energy: -0.088 local terms energy: -26.131998 where: bonds (distance) C4'-P energy: -6.084 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -5.418 flat angles P-C4'-P energy: -4.394 tors. eta vs tors. theta energy: -3.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -39.985883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.985883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.985883 (E_RNA) where: Base-Base interactions energy: -11.597 where: short stacking energy: -11.597 Base-Backbone interact. energy: -0.095 local terms energy: -28.293419 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -7.131 flat angles P-C4'-P energy: -4.787 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: 6, replica: 1 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -34.079707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.079707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.079707 (E_RNA) where: Base-Base interactions energy: -11.208 where: short stacking energy: -11.208 Base-Backbone interact. energy: -0.000 local terms energy: -22.871571 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -4.646 flat angles P-C4'-P energy: -1.382 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: 7, replica: 3 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -27.471080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.471080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.471080 (E_RNA) where: Base-Base interactions energy: -5.014 where: short stacking energy: -5.014 Base-Backbone interact. energy: -0.346 local terms energy: -22.111695 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.106 flat angles P-C4'-P energy: -4.899 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: 8, replica: 7 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -30.027441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.027441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.027441 (E_RNA) where: Base-Base interactions energy: -7.553 where: short stacking energy: -7.553 Base-Backbone interact. energy: -0.073 local terms energy: -22.402057 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -4.374 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: 9, replica: 6 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -27.150460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.150460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.150460 (E_RNA) where: Base-Base interactions energy: -6.497 where: short stacking energy: -6.897 Base-Backbone interact. energy: -0.100 local terms energy: -20.553121 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.695 flat angles P-C4'-P energy: -3.044 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: 10, replica: 2 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -29.090456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.090456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.090456 (E_RNA) where: Base-Base interactions energy: -9.237 where: short stacking energy: -9.237 Base-Backbone interact. energy: -0.022 local terms energy: -19.830939 where: bonds (distance) C4'-P energy: -4.361 bonds (distance) P-C4' energy: -3.988 flat angles C4'-P-C4' energy: -4.024 flat angles P-C4'-P energy: -3.356 tors. eta vs tors. theta energy: -4.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -41.728354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.728354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.728354 (E_RNA) where: Base-Base interactions energy: -14.350 where: short stacking energy: -14.350 Base-Backbone interact. energy: -0.005 local terms energy: -27.373945 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -5.899 flat angles P-C4'-P energy: -4.428 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: 24 Temperature: 0.950000 Total energy: -36.637488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.637488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.637488 (E_RNA) where: Base-Base interactions energy: -11.137 where: short stacking energy: -11.137 Base-Backbone interact. energy: 0.663 local terms energy: -26.164290 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -5.646 flat angles P-C4'-P energy: -4.720 tors. eta vs tors. theta energy: -3.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -39.220693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.220693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.220693 (E_RNA) where: Base-Base interactions energy: -14.014 where: short stacking energy: -14.014 Base-Backbone interact. energy: -0.003 local terms energy: -25.203772 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -7.339 flat angles P-C4'-P energy: -3.232 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: 4, replica: 10 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -33.919911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.919911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.919911 (E_RNA) where: Base-Base interactions energy: -8.447 where: short stacking energy: -8.447 Base-Backbone interact. energy: -0.055 local terms energy: -25.418081 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.565 flat angles P-C4'-P energy: -5.023 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: 5, replica: 1 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -31.362527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.362527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.362527 (E_RNA) where: Base-Base interactions energy: -3.842 where: short stacking energy: -3.842 Base-Backbone interact. energy: -0.096 local terms energy: -27.424484 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.373 flat angles P-C4'-P energy: -5.817 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: 8 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -32.672022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.672022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.672022 (E_RNA) where: Base-Base interactions energy: -6.846 where: short stacking energy: -6.846 Base-Backbone interact. energy: -0.001 local terms energy: -25.825437 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -6.937 flat angles P-C4'-P energy: -4.493 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: 7, replica: 7 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -33.344687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.344687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.344687 (E_RNA) where: Base-Base interactions energy: -7.218 where: short stacking energy: -7.218 Base-Backbone interact. energy: -0.010 local terms energy: -26.116404 where: bonds (distance) C4'-P energy: -4.738 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.766 flat angles P-C4'-P energy: -5.329 tors. eta vs tors. theta energy: -3.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -32.885663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.885663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.885663 (E_RNA) where: Base-Base interactions energy: -8.745 where: short stacking energy: -8.745 Base-Backbone interact. energy: -0.096 local terms energy: -24.045114 where: bonds (distance) C4'-P energy: -6.257 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.904 flat angles P-C4'-P energy: -5.543 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: 9, replica: 2 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -31.163107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.163107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.163107 (E_RNA) where: Base-Base interactions energy: -6.189 where: short stacking energy: -6.189 Base-Backbone interact. energy: -0.000 local terms energy: -24.973963 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.356 flat angles P-C4'-P energy: -3.590 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: 10, replica: 6 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -28.538318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.538318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.538318 (E_RNA) where: Base-Base interactions energy: -6.693 where: short stacking energy: -6.693 Base-Backbone interact. energy: -0.030 local terms energy: -21.815209 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -5.546 flat angles P-C4'-P energy: -4.522 tors. eta vs tors. theta energy: 0.456 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: 1, replica: 9 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -33.732711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.732711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.732711 (E_RNA) where: Base-Base interactions energy: -8.395 where: short stacking energy: -8.395 Base-Backbone interact. energy: -0.007 local terms energy: -25.331060 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -5.792 flat angles P-C4'-P energy: -4.476 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: 2, replica: 5 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -37.888018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.888018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.888018 (E_RNA) where: Base-Base interactions energy: -10.695 where: short stacking energy: -10.695 Base-Backbone interact. energy: -0.000 local terms energy: -27.193077 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -5.974 flat angles C4'-P-C4' energy: -6.252 flat angles P-C4'-P energy: -4.644 tors. eta vs tors. theta energy: -4.446 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: 3, replica: 4 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -35.363269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.363269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.363269 (E_RNA) where: Base-Base interactions energy: -7.365 where: short stacking energy: -7.365 Base-Backbone interact. energy: -0.025 local terms energy: -27.973970 where: bonds (distance) C4'-P energy: -4.357 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.496 flat angles P-C4'-P energy: -5.857 tors. eta vs tors. theta energy: -4.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -34.585334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.585334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.585334 (E_RNA) where: Base-Base interactions energy: -11.519 where: short stacking energy: -11.519 Base-Backbone interact. energy: -0.027 local terms energy: -23.039018 where: bonds (distance) C4'-P energy: -6.515 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.867 flat angles P-C4'-P energy: -4.012 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: 5, replica: 10 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -33.596556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.596556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.596556 (E_RNA) where: Base-Base interactions energy: -10.676 where: short stacking energy: -10.676 Base-Backbone interact. energy: -0.037 local terms energy: -22.884011 where: bonds (distance) C4'-P energy: -6.067 bonds (distance) P-C4' energy: -7.022 flat angles C4'-P-C4' energy: -6.321 flat angles P-C4'-P energy: -3.616 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: 6, replica: 7 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -28.149788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.149788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.149788 (E_RNA) where: Base-Base interactions energy: -3.829 where: short stacking energy: -4.591 Base-Backbone interact. energy: -0.011 local terms energy: -24.309607 where: bonds (distance) C4'-P energy: -5.033 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -5.739 tors. eta vs tors. theta energy: -0.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -33.895163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.895163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.895163 (E_RNA) where: Base-Base interactions energy: -11.251 where: short stacking energy: -11.251 Base-Backbone interact. energy: -0.069 local terms energy: -22.574585 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -3.188 flat angles P-C4'-P energy: -4.555 tors. eta vs tors. theta energy: -0.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -27.911813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.911813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.911813 (E_RNA) where: Base-Base interactions energy: -10.873 where: short stacking energy: -10.873 Base-Backbone interact. energy: -0.058 local terms energy: -16.980059 where: bonds (distance) C4'-P energy: -5.503 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -3.674 flat angles P-C4'-P energy: -0.797 tors. eta vs tors. theta energy: 0.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -27.171422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.171422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.171422 (E_RNA) where: Base-Base interactions energy: -5.711 where: short stacking energy: -5.711 Base-Backbone interact. energy: -0.003 local terms energy: -21.457621 where: bonds (distance) C4'-P energy: -5.525 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.698 flat angles P-C4'-P energy: -2.832 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: 10, replica: 6 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -29.429290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.429290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.429290 (E_RNA) where: Base-Base interactions energy: -6.586 where: short stacking energy: -6.586 Base-Backbone interact. energy: -0.028 local terms energy: -22.815070 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -5.709 flat angles C4'-P-C4' energy: -4.926 flat angles P-C4'-P energy: -2.197 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: 1, replica: 9 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -36.689486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.689486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.689486 (E_RNA) where: Base-Base interactions energy: -8.180 where: short stacking energy: -8.180 Base-Backbone interact. energy: -0.062 local terms energy: -28.447880 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -6.501 flat angles P-C4'-P energy: -5.390 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: 2, replica: 5 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -40.778919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.778919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.778919 (E_RNA) where: Base-Base interactions energy: -16.053 where: short stacking energy: -16.053 Base-Backbone interact. energy: -0.069 local terms energy: -24.657555 where: bonds (distance) C4'-P energy: -6.953 bonds (distance) P-C4' energy: -4.621 flat angles C4'-P-C4' energy: -5.708 flat angles P-C4'-P energy: -5.074 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: 3, replica: 1 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -33.088360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.088360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.088360 (E_RNA) where: Base-Base interactions energy: -8.249 where: short stacking energy: -8.249 Base-Backbone interact. energy: -0.014 local terms energy: -24.825435 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.274 flat angles P-C4'-P energy: -3.033 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: 4, replica: 4 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -30.557481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.557481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.557481 (E_RNA) where: Base-Base interactions energy: -9.654 where: short stacking energy: -9.512 Base-Backbone interact. energy: -0.141 local terms energy: -20.762284 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -5.483 flat angles P-C4'-P energy: -1.248 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: 7 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -31.533007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.533007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.533007 (E_RNA) where: Base-Base interactions energy: -9.663 where: short stacking energy: -9.663 Base-Backbone interact. energy: -0.002 local terms energy: -21.867982 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -3.975 flat angles P-C4'-P energy: -3.557 tors. eta vs tors. theta energy: -0.897 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: 6, replica: 10 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -35.230562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.230562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.230562 (E_RNA) where: Base-Base interactions energy: -12.378 where: short stacking energy: -12.378 Base-Backbone interact. energy: -0.044 local terms energy: -22.809038 where: bonds (distance) C4'-P energy: -6.598 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -3.291 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: 7, replica: 2 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -30.563982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.563982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.563982 (E_RNA) where: Base-Base interactions energy: -7.728 where: short stacking energy: -7.728 Base-Backbone interact. energy: -0.004 local terms energy: -22.832519 where: bonds (distance) C4'-P energy: -6.067 bonds (distance) P-C4' energy: -6.575 flat angles C4'-P-C4' energy: -4.930 flat angles P-C4'-P energy: -3.081 tors. eta vs tors. theta energy: -2.180 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: 8, replica: 8 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -31.427500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.427500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.427500 (E_RNA) where: Base-Base interactions energy: -9.834 where: short stacking energy: -9.834 Base-Backbone interact. energy: -0.001 local terms energy: -21.592245 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -5.649 flat angles C4'-P-C4' energy: -5.183 flat angles P-C4'-P energy: -3.604 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: 9, replica: 6 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -29.705777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.705777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.705777 (E_RNA) where: Base-Base interactions energy: -2.954 where: short stacking energy: -2.954 Base-Backbone interact. energy: -0.001 local terms energy: -26.750456 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.630 flat angles P-C4'-P energy: -5.375 tors. eta vs tors. theta energy: -1.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -39.833541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.833541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.833541 (E_RNA) where: Base-Base interactions energy: -12.001 where: short stacking energy: -12.001 Base-Backbone interact. energy: -0.049 local terms energy: -27.783264 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.560 flat angles P-C4'-P energy: -5.094 tors. eta vs tors. theta energy: -4.596 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: 1, replica: 9 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -36.978173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.978173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.978173 (E_RNA) where: Base-Base interactions energy: -11.920 where: short stacking energy: -11.920 Base-Backbone interact. energy: -0.006 local terms energy: -25.052393 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.841 flat angles P-C4'-P energy: -2.335 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: 2, replica: 1 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -38.131745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.131745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.131745 (E_RNA) where: Base-Base interactions energy: -13.020 where: short stacking energy: -13.020 Base-Backbone interact. energy: -0.198 local terms energy: -24.914242 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -6.076 flat angles P-C4'-P energy: -5.575 tors. eta vs tors. theta energy: -0.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -36.453316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.453316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.453316 (E_RNA) where: Base-Base interactions energy: -8.533 where: short stacking energy: -8.533 Base-Backbone interact. energy: 0.291 local terms energy: -28.211709 where: bonds (distance) C4'-P energy: -5.052 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -7.326 flat angles P-C4'-P energy: -5.245 tors. eta vs tors. theta energy: -3.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -34.636608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.636608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.636608 (E_RNA) where: Base-Base interactions energy: -9.700 where: short stacking energy: -9.700 Base-Backbone interact. energy: -0.190 local terms energy: -24.746514 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -5.994 flat angles C4'-P-C4' energy: -7.147 flat angles P-C4'-P energy: -4.422 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: 5, replica: 4 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -37.058448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.058448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.058448 (E_RNA) where: Base-Base interactions energy: -10.685 where: short stacking energy: -10.685 Base-Backbone interact. energy: -0.000 local terms energy: -26.373049 where: bonds (distance) C4'-P energy: -4.410 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: -3.348 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: 6, replica: 2 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -30.938757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.938757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.938757 (E_RNA) where: Base-Base interactions energy: -8.032 where: short stacking energy: -8.308 Base-Backbone interact. energy: -0.088 local terms energy: -22.818529 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -4.713 flat angles P-C4'-P energy: -5.505 tors. eta vs tors. theta energy: 2.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -30.334690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.334690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.334690 (E_RNA) where: Base-Base interactions energy: -7.877 where: short stacking energy: -7.877 Base-Backbone interact. energy: -0.036 local terms energy: -22.422574 where: bonds (distance) C4'-P energy: -6.267 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -3.820 flat angles P-C4'-P energy: -4.984 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: 8, replica: 6 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -31.004224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.004224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.004224 (E_RNA) where: Base-Base interactions energy: -7.991 where: short stacking energy: -7.991 Base-Backbone interact. energy: -0.056 local terms energy: -22.957789 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.685 flat angles P-C4'-P energy: -3.808 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: 8 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -29.470300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.470300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.470300 (E_RNA) where: Base-Base interactions energy: -6.649 where: short stacking energy: -6.649 Base-Backbone interact. energy: -0.098 local terms energy: -22.723534 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -7.375 flat angles P-C4'-P energy: -1.857 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: 10, replica: 3 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -28.423627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.423627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.423627 (E_RNA) where: Base-Base interactions energy: -8.646 where: short stacking energy: -8.646 Base-Backbone interact. energy: -0.095 local terms energy: -19.682234 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.241 flat angles C4'-P-C4' energy: -3.067 flat angles P-C4'-P energy: -4.284 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: 1, replica: 1 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -37.709099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.709099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.709099 (E_RNA) where: Base-Base interactions energy: -12.478 where: short stacking energy: -12.478 Base-Backbone interact. energy: -0.000 local terms energy: -25.230770 where: bonds (distance) C4'-P energy: -5.325 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.412 flat angles P-C4'-P energy: -2.825 tors. eta vs tors. theta energy: -2.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -36.353255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.353255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.353255 (E_RNA) where: Base-Base interactions energy: -14.076 where: short stacking energy: -14.076 Base-Backbone interact. energy: -0.001 local terms energy: -22.276931 where: bonds (distance) C4'-P energy: -5.016 bonds (distance) P-C4' energy: -5.367 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -5.508 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: 3, replica: 7 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -37.855862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.855862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.855862 (E_RNA) where: Base-Base interactions energy: -9.648 where: short stacking energy: -8.132 Base-Backbone interact. energy: -1.533 local terms energy: -26.674565 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.733 flat angles P-C4'-P energy: -3.797 tors. eta vs tors. theta energy: -4.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -38.731255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.731255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.731255 (E_RNA) where: Base-Base interactions energy: -11.075 where: short stacking energy: -11.075 Base-Backbone interact. energy: -0.018 local terms energy: -27.638271 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -4.454 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: 5, replica: 4 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -30.491160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.491160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.491160 (E_RNA) where: Base-Base interactions energy: -6.254 where: short stacking energy: -6.254 Base-Backbone interact. energy: -0.001 local terms energy: -24.236669 where: bonds (distance) C4'-P energy: -6.523 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -4.708 flat angles P-C4'-P energy: -4.224 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: 6, replica: 2 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -34.177537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.177537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.177537 (E_RNA) where: Base-Base interactions energy: -10.388 where: short stacking energy: -10.388 Base-Backbone interact. energy: -0.003 local terms energy: -23.786289 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -4.282 flat angles P-C4'-P energy: -5.680 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: 7, replica: 6 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -27.431890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.431890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.431890 (E_RNA) where: Base-Base interactions energy: -2.672 where: short stacking energy: -2.672 Base-Backbone interact. energy: -0.065 local terms energy: -24.695296 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: -0.457 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: 8, replica: 10 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -26.990470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.990470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.990470 (E_RNA) where: Base-Base interactions energy: -4.207 where: short stacking energy: -3.423 Base-Backbone interact. energy: -0.151 local terms energy: -22.631845 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -5.030 flat angles P-C4'-P energy: -5.424 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: 9, replica: 3 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -26.868254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.868254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.868254 (E_RNA) where: Base-Base interactions energy: -9.892 where: short stacking energy: -9.892 Base-Backbone interact. energy: -0.000 local terms energy: -16.976426 where: bonds (distance) C4'-P energy: -4.064 bonds (distance) P-C4' energy: -4.821 flat angles C4'-P-C4' energy: -5.003 flat angles P-C4'-P energy: -1.858 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: 10, replica: 8 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -29.316988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.316988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.316988 (E_RNA) where: Base-Base interactions energy: -4.345 where: short stacking energy: -4.345 Base-Backbone interact. energy: -0.023 local terms energy: -24.948999 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -6.609 flat angles P-C4'-P energy: -3.890 tors. eta vs tors. theta energy: -1.565 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: 1 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -36.802964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.802964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.802964 (E_RNA) where: Base-Base interactions energy: -12.066 where: short stacking energy: -12.066 Base-Backbone interact. energy: -0.054 local terms energy: -24.683112 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.560 flat angles P-C4'-P energy: -3.113 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: 2, replica: 9 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -35.874011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.874011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.874011 (E_RNA) where: Base-Base interactions energy: -10.183 where: short stacking energy: -10.183 Base-Backbone interact. energy: -0.028 local terms energy: -25.662442 where: bonds (distance) C4'-P energy: -5.873 bonds (distance) P-C4' energy: -5.774 flat angles C4'-P-C4' energy: -7.169 flat angles P-C4'-P energy: -4.820 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: 3, replica: 7 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -37.406776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.406776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.406776 (E_RNA) where: Base-Base interactions energy: -10.629 where: short stacking energy: -10.629 Base-Backbone interact. energy: -0.000 local terms energy: -26.777788 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -5.701 flat angles P-C4'-P energy: -5.834 tors. eta vs tors. theta energy: -2.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -37.337964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.337964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.337964 (E_RNA) where: Base-Base interactions energy: -13.925 where: short stacking energy: -13.925 Base-Backbone interact. energy: -0.012 local terms energy: -23.401074 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -1.478 flat angles P-C4'-P energy: -4.501 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: 5, replica: 5 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -29.110984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.110984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.110984 (E_RNA) where: Base-Base interactions energy: -5.663 where: short stacking energy: -5.663 Base-Backbone interact. energy: -0.002 local terms energy: -23.445635 where: bonds (distance) C4'-P energy: -4.685 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -4.989 flat angles P-C4'-P energy: -3.251 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: 6, replica: 6 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -39.436883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.436883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.436883 (E_RNA) where: Base-Base interactions energy: -10.384 where: short stacking energy: -10.384 Base-Backbone interact. energy: -0.000 local terms energy: -29.053314 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -6.530 flat angles P-C4'-P energy: -5.028 tors. eta vs tors. theta energy: -4.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -34.624937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.624937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.624937 (E_RNA) where: Base-Base interactions energy: -7.805 where: short stacking energy: -7.440 Base-Backbone interact. energy: -0.366 local terms energy: -26.454652 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.397 flat angles C4'-P-C4' energy: -6.839 flat angles P-C4'-P energy: -4.969 tors. eta vs tors. theta energy: -1.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -33.524829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.524829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.524829 (E_RNA) where: Base-Base interactions energy: -8.358 where: short stacking energy: -8.358 Base-Backbone interact. energy: -0.010 local terms energy: -25.156319 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.078 flat angles P-C4'-P energy: -3.509 tors. eta vs tors. theta energy: -2.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -28.356280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.356280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.356280 (E_RNA) where: Base-Base interactions energy: -3.270 where: short stacking energy: -3.270 Base-Backbone interact. energy: -0.002 local terms energy: -25.084715 where: bonds (distance) C4'-P energy: -4.697 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.596 flat angles P-C4'-P energy: -4.556 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: 10, replica: 8 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -24.910941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.910941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.910941 (E_RNA) where: Base-Base interactions energy: -4.659 where: short stacking energy: -4.659 Base-Backbone interact. energy: -0.071 local terms energy: -20.180973 where: bonds (distance) C4'-P energy: -3.115 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.457 flat angles P-C4'-P energy: -4.798 tors. eta vs tors. theta energy: 1.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -39.863582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.863582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.863582 (E_RNA) where: Base-Base interactions energy: -9.743 where: short stacking energy: -9.743 Base-Backbone interact. energy: -0.098 local terms energy: -30.022361 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -5.031 tors. eta vs tors. theta energy: -5.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -37.672580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.672580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.672580 (E_RNA) where: Base-Base interactions energy: -9.940 where: short stacking energy: -8.525 Base-Backbone interact. energy: -0.259 local terms energy: -27.473651 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -7.233 flat angles P-C4'-P energy: -4.704 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: 4 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -36.962669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.962669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.962669 (E_RNA) where: Base-Base interactions energy: -11.345 where: short stacking energy: -11.345 Base-Backbone interact. energy: -0.003 local terms energy: -25.615325 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -5.948 flat angles C4'-P-C4' energy: -5.268 flat angles P-C4'-P energy: -4.527 tors. eta vs tors. theta energy: -3.552 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: 7 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -42.354680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.354680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.354680 (E_RNA) where: Base-Base interactions energy: -12.661 where: short stacking energy: -12.661 Base-Backbone interact. energy: -0.000 local terms energy: -29.693840 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.840 flat angles P-C4'-P energy: -4.190 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: 5, replica: 6 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -36.987523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.987523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.987523 (E_RNA) where: Base-Base interactions energy: -10.889 where: short stacking energy: -10.889 Base-Backbone interact. energy: -0.000 local terms energy: -26.098560 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.321 flat angles P-C4'-P energy: -2.222 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: 6, replica: 5 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -32.065797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.065797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.065797 (E_RNA) where: Base-Base interactions energy: -8.288 where: short stacking energy: -8.388 Base-Backbone interact. energy: -0.001 local terms energy: -23.777428 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -3.487 flat angles C4'-P-C4' energy: -5.291 flat angles P-C4'-P energy: -3.401 tors. eta vs tors. theta energy: -5.134 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: 3 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -24.775941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.775941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.775941 (E_RNA) where: Base-Base interactions energy: -6.433 where: short stacking energy: -6.433 Base-Backbone interact. energy: -0.274 local terms energy: -18.069258 where: bonds (distance) C4'-P energy: -4.246 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -3.739 flat angles P-C4'-P energy: -4.069 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: 8, replica: 2 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -28.692035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.692035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.692035 (E_RNA) where: Base-Base interactions energy: -7.452 where: short stacking energy: -6.964 Base-Backbone interact. energy: -0.091 local terms energy: -21.149037 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.311 flat angles P-C4'-P energy: -3.486 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: 9, replica: 8 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -29.507690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.507690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.507690 (E_RNA) where: Base-Base interactions energy: -8.335 where: short stacking energy: -8.335 Base-Backbone interact. energy: -0.002 local terms energy: -21.170811 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -6.308 flat angles P-C4'-P energy: -3.700 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: 10, replica: 10 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -25.081101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.081101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.081101 (E_RNA) where: Base-Base interactions energy: -5.782 where: short stacking energy: -5.782 Base-Backbone interact. energy: -0.033 local terms energy: -19.266526 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -4.137 flat angles P-C4'-P energy: -2.919 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: 9 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -36.616285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.616285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.616285 (E_RNA) where: Base-Base interactions energy: -7.031 where: short stacking energy: -7.031 Base-Backbone interact. energy: -1.080 local terms energy: -28.505488 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -7.536 flat angles P-C4'-P energy: -4.132 tors. eta vs tors. theta energy: -3.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -39.032915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.032915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.032915 (E_RNA) where: Base-Base interactions energy: -10.826 where: short stacking energy: -10.826 Base-Backbone interact. energy: -0.005 local terms energy: -28.202649 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.557 flat angles C4'-P-C4' energy: -6.440 flat angles P-C4'-P energy: -5.492 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: 3, replica: 1 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -32.401915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.401915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.401915 (E_RNA) where: Base-Base interactions energy: -10.780 where: short stacking energy: -10.780 Base-Backbone interact. energy: -0.052 local terms energy: -21.569637 where: bonds (distance) C4'-P energy: -4.883 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -5.715 flat angles P-C4'-P energy: -4.397 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: 4, replica: 6 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -36.980265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.980265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.980265 (E_RNA) where: Base-Base interactions energy: -12.457 where: short stacking energy: -12.457 Base-Backbone interact. energy: -0.044 local terms energy: -24.479069 where: bonds (distance) C4'-P energy: -3.981 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.114 flat angles P-C4'-P energy: -5.434 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: 5, replica: 7 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -33.464913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.464913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.464913 (E_RNA) where: Base-Base interactions energy: -7.403 where: short stacking energy: -7.403 Base-Backbone interact. energy: -0.003 local terms energy: -26.059503 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -7.573 flat angles C4'-P-C4' energy: -6.328 flat angles P-C4'-P energy: -5.448 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: 6, replica: 5 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -33.168642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.168642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.168642 (E_RNA) where: Base-Base interactions energy: -8.720 where: short stacking energy: -8.720 Base-Backbone interact. energy: -0.157 local terms energy: -24.291409 where: bonds (distance) C4'-P energy: -4.356 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.722 flat angles P-C4'-P energy: -4.540 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: 7, replica: 3 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -30.157584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.157584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.157584 (E_RNA) where: Base-Base interactions energy: -9.141 where: short stacking energy: -9.141 Base-Backbone interact. energy: -0.007 local terms energy: -21.009497 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -2.013 flat angles P-C4'-P energy: -4.137 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: 8, replica: 8 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -29.367951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.367951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.367951 (E_RNA) where: Base-Base interactions energy: -4.451 where: short stacking energy: -4.451 Base-Backbone interact. energy: -0.074 local terms energy: -24.843102 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -6.547 flat angles C4'-P-C4' energy: -7.306 flat angles P-C4'-P energy: -4.341 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: 9, replica: 2 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -27.267790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.267790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.267790 (E_RNA) where: Base-Base interactions energy: -5.834 where: short stacking energy: -5.834 Base-Backbone interact. energy: -0.282 local terms energy: -21.151232 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -2.613 tors. eta vs tors. theta energy: 0.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -30.255192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.255192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.255192 (E_RNA) where: Base-Base interactions energy: -7.782 where: short stacking energy: -7.782 Base-Backbone interact. energy: -0.000 local terms energy: -22.473229 where: bonds (distance) C4'-P energy: -5.741 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -6.427 flat angles P-C4'-P energy: -1.345 tors. eta vs tors. theta energy: -1.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -42.575670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.575670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.575670 (E_RNA) where: Base-Base interactions energy: -13.587 where: short stacking energy: -13.587 Base-Backbone interact. energy: -0.000 local terms energy: -28.989070 where: bonds (distance) C4'-P energy: -4.970 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.080 flat angles P-C4'-P energy: -2.831 tors. eta vs tors. theta energy: -6.542 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: 9 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -37.088500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.088500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.088500 (E_RNA) where: Base-Base interactions energy: -11.182 where: short stacking energy: -11.182 Base-Backbone interact. energy: -0.084 local terms energy: -25.823274 where: bonds (distance) C4'-P energy: -5.293 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.921 flat angles P-C4'-P energy: -5.362 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: 3, replica: 6 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -36.121730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.121730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.121730 (E_RNA) where: Base-Base interactions energy: -7.822 where: short stacking energy: -7.822 Base-Backbone interact. energy: 0.517 local terms energy: -28.816325 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.935 flat angles P-C4'-P energy: -4.898 tors. eta vs tors. theta energy: -3.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -39.737948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.737948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.737948 (E_RNA) where: Base-Base interactions energy: -12.220 where: short stacking energy: -12.220 Base-Backbone interact. energy: -0.000 local terms energy: -27.517238 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.627 flat angles P-C4'-P energy: -4.843 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: 5 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -31.189403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.189403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.189403 (E_RNA) where: Base-Base interactions energy: -7.639 where: short stacking energy: -7.639 Base-Backbone interact. energy: -0.163 local terms energy: -23.387633 where: bonds (distance) C4'-P energy: -5.343 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -5.949 flat angles P-C4'-P energy: -2.647 tors. eta vs tors. theta energy: -1.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -36.918389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.918389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.918389 (E_RNA) where: Base-Base interactions energy: -10.068 where: short stacking energy: -10.068 Base-Backbone interact. energy: 1.535 local terms energy: -28.386037 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.984 flat angles P-C4'-P energy: -4.613 tors. eta vs tors. theta energy: -3.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -33.362604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.362604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.362604 (E_RNA) where: Base-Base interactions energy: -9.332 where: short stacking energy: -9.332 Base-Backbone interact. energy: -0.009 local terms energy: -24.021668 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -4.115 flat angles C4'-P-C4' energy: -5.934 flat angles P-C4'-P energy: -3.515 tors. eta vs tors. theta energy: -3.657 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: 3 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -28.457930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.457930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.457930 (E_RNA) where: Base-Base interactions energy: -5.071 where: short stacking energy: -5.071 Base-Backbone interact. energy: -0.022 local terms energy: -23.365198 where: bonds (distance) C4'-P energy: -5.033 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -7.331 flat angles P-C4'-P energy: -4.948 tors. eta vs tors. theta energy: 1.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -31.668682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.668682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.668682 (E_RNA) where: Base-Base interactions energy: -7.988 where: short stacking energy: -7.988 Base-Backbone interact. energy: -0.123 local terms energy: -23.557667 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.687 flat angles P-C4'-P energy: -4.951 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: 10, replica: 2 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -25.383344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.383344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.383344 (E_RNA) where: Base-Base interactions energy: -1.432 where: short stacking energy: -1.432 Base-Backbone interact. energy: -0.001 local terms energy: -23.950631 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.840 flat angles P-C4'-P energy: -5.121 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: 1, replica: 4 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -40.795635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.795635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.795635 (E_RNA) where: Base-Base interactions energy: -13.691 where: short stacking energy: -13.691 Base-Backbone interact. energy: -0.023 local terms energy: -27.081830 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -4.516 flat angles P-C4'-P energy: -5.788 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: 2, replica: 6 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -34.591547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.591547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.591547 (E_RNA) where: Base-Base interactions energy: -10.711 where: short stacking energy: -10.711 Base-Backbone interact. energy: -0.001 local terms energy: -23.880092 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -3.888 flat angles P-C4'-P energy: -4.927 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: 3, replica: 9 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -33.956299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.956299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.956299 (E_RNA) where: Base-Base interactions energy: -7.632 where: short stacking energy: -7.632 Base-Backbone interact. energy: -0.048 local terms energy: -26.276492 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.214 flat angles P-C4'-P energy: -4.809 tors. eta vs tors. theta energy: -1.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -37.737099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.737099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.737099 (E_RNA) where: Base-Base interactions energy: -6.520 where: short stacking energy: -6.520 Base-Backbone interact. energy: -0.001 local terms energy: -31.216045 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -7.145 flat angles P-C4'-P energy: -5.427 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: 5, replica: 1 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -32.476576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.476576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.476576 (E_RNA) where: Base-Base interactions energy: -8.971 where: short stacking energy: -8.971 Base-Backbone interact. energy: 0.198 local terms energy: -23.703230 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -5.075 flat angles C4'-P-C4' energy: -6.229 flat angles P-C4'-P energy: -4.539 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: 6, replica: 8 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -35.593414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.593414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.593414 (E_RNA) where: Base-Base interactions energy: -11.880 where: short stacking energy: -11.880 Base-Backbone interact. energy: -0.001 local terms energy: -23.712044 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -5.959 flat angles C4'-P-C4' energy: -7.176 flat angles P-C4'-P energy: -1.104 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: 7, replica: 7 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -29.679156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.679156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.679156 (E_RNA) where: Base-Base interactions energy: -4.000 where: short stacking energy: -4.000 Base-Backbone interact. energy: 0.257 local terms energy: -25.936247 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.059 flat angles P-C4'-P energy: -5.207 tors. eta vs tors. theta energy: 0.026 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: 3 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -28.739743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.739743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.739743 (E_RNA) where: Base-Base interactions energy: -5.628 where: short stacking energy: -5.628 Base-Backbone interact. energy: -0.010 local terms energy: -23.101801 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -4.576 flat angles P-C4'-P energy: -3.292 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: 9, replica: 10 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -30.472907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.472907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.472907 (E_RNA) where: Base-Base interactions energy: -8.940 where: short stacking energy: -8.940 Base-Backbone interact. energy: -0.055 local terms energy: -21.477907 where: bonds (distance) C4'-P energy: -3.082 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -6.245 flat angles P-C4'-P energy: -2.611 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: 10, replica: 2 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -26.511005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.511005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.511005 (E_RNA) where: Base-Base interactions energy: -6.013 where: short stacking energy: -6.013 Base-Backbone interact. energy: -0.139 local terms energy: -20.358422 where: bonds (distance) C4'-P energy: -4.651 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -3.454 flat angles P-C4'-P energy: -4.774 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: 1, replica: 6 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -33.971046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.971046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.971046 (E_RNA) where: Base-Base interactions energy: -8.668 where: short stacking energy: -8.668 Base-Backbone interact. energy: -0.017 local terms energy: -25.285989 where: bonds (distance) C4'-P energy: -4.428 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.527 flat angles P-C4'-P energy: -5.973 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: 2, replica: 4 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -39.021270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.021270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.021270 (E_RNA) where: Base-Base interactions energy: -13.659 where: short stacking energy: -13.659 Base-Backbone interact. energy: -0.000 local terms energy: -25.361695 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.944 flat angles P-C4'-P energy: -3.472 tors. eta vs tors. theta energy: -3.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -33.733177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.733177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.733177 (E_RNA) where: Base-Base interactions energy: -7.854 where: short stacking energy: -7.854 Base-Backbone interact. energy: -0.001 local terms energy: -25.878883 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -6.331 flat angles P-C4'-P energy: -3.616 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: 4, replica: 9 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -33.378606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.378606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.378606 (E_RNA) where: Base-Base interactions energy: -8.229 where: short stacking energy: -8.229 Base-Backbone interact. energy: -0.258 local terms energy: -24.891477 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.482 flat angles P-C4'-P energy: -4.189 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: 5, replica: 8 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -37.232017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.232017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.232017 (E_RNA) where: Base-Base interactions energy: -10.700 where: short stacking energy: -10.700 Base-Backbone interact. energy: -0.003 local terms energy: -26.529006 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.053 flat angles P-C4'-P energy: -3.176 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: 6, replica: 1 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -33.236682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.236682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.236682 (E_RNA) where: Base-Base interactions energy: -11.889 where: short stacking energy: -11.889 Base-Backbone interact. energy: -0.099 local terms energy: -21.249606 where: bonds (distance) C4'-P energy: -4.366 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -3.982 flat angles P-C4'-P energy: -4.343 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: 7, replica: 3 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -31.846593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.846593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.846593 (E_RNA) where: Base-Base interactions energy: -10.011 where: short stacking energy: -10.011 Base-Backbone interact. energy: -0.074 local terms energy: -21.762180 where: bonds (distance) C4'-P energy: -5.194 bonds (distance) P-C4' energy: -5.778 flat angles C4'-P-C4' energy: -6.208 flat angles P-C4'-P energy: -4.237 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: 8, replica: 7 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -30.101812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.101812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.101812 (E_RNA) where: Base-Base interactions energy: -7.237 where: short stacking energy: -6.410 Base-Backbone interact. energy: -0.107 local terms energy: -22.757690 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.087 flat angles C4'-P-C4' energy: -5.684 flat angles P-C4'-P energy: -3.194 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: 9, replica: 2 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -29.755352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.755352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.755352 (E_RNA) where: Base-Base interactions energy: -6.659 where: short stacking energy: -6.659 Base-Backbone interact. energy: -0.019 local terms energy: -23.077595 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -6.714 flat angles P-C4'-P energy: -3.111 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: 10, replica: 10 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -25.610481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.610481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.610481 (E_RNA) where: Base-Base interactions energy: -6.071 where: short stacking energy: -6.071 Base-Backbone interact. energy: -0.005 local terms energy: -19.534402 where: bonds (distance) C4'-P energy: -5.619 bonds (distance) P-C4' energy: -5.744 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -0.865 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: 6 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -40.370822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.370822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.370822 (E_RNA) where: Base-Base interactions energy: -11.344 where: short stacking energy: -11.344 Base-Backbone interact. energy: -0.092 local terms energy: -28.934018 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -5.231 tors. eta vs tors. theta energy: -3.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -41.196783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.196783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.196783 (E_RNA) where: Base-Base interactions energy: -10.803 where: short stacking energy: -10.803 Base-Backbone interact. energy: -0.013 local terms energy: -30.380979 where: bonds (distance) C4'-P energy: -5.777 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -7.238 flat angles P-C4'-P energy: -4.225 tors. eta vs tors. theta energy: -5.600 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: 3, replica: 4 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -34.428572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.428572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.428572 (E_RNA) where: Base-Base interactions energy: -10.069 where: short stacking energy: -10.069 Base-Backbone interact. energy: -0.028 local terms energy: -24.331091 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -5.781 flat angles P-C4'-P energy: -3.273 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: 4, replica: 8 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -38.662289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.662289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.662289 (E_RNA) where: Base-Base interactions energy: -13.247 where: short stacking energy: -13.247 Base-Backbone interact. energy: -0.034 local terms energy: -25.381690 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.751 flat angles P-C4'-P energy: -4.841 tors. eta vs tors. theta energy: -1.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -36.484016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.484016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.484016 (E_RNA) where: Base-Base interactions energy: -11.956 where: short stacking energy: -11.956 Base-Backbone interact. energy: -0.019 local terms energy: -24.509154 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -4.004 flat angles C4'-P-C4' energy: -7.243 flat angles P-C4'-P energy: -5.373 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: 6, replica: 3 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -33.173895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.173895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.173895 (E_RNA) where: Base-Base interactions energy: -7.399 where: short stacking energy: -6.357 Base-Backbone interact. energy: -0.156 local terms energy: -25.619026 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -7.434 flat angles P-C4'-P energy: -4.266 tors. eta vs tors. theta energy: -0.145 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: 1 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -29.941825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.941825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.941825 (E_RNA) where: Base-Base interactions energy: -6.246 where: short stacking energy: -6.246 Base-Backbone interact. energy: -0.268 local terms energy: -23.427975 where: bonds (distance) C4'-P energy: -5.387 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.825 flat angles P-C4'-P energy: -5.008 tors. eta vs tors. theta energy: 0.643 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: 2 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -31.226529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.226529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.226529 (E_RNA) where: Base-Base interactions energy: -5.801 where: short stacking energy: -5.801 Base-Backbone interact. energy: -0.000 local terms energy: -25.424857 where: bonds (distance) C4'-P energy: -4.357 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -6.899 flat angles P-C4'-P energy: -3.586 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: 9, replica: 7 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -32.240036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.240036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.240036 (E_RNA) where: Base-Base interactions energy: -10.559 where: short stacking energy: -10.559 Base-Backbone interact. energy: -0.059 local terms energy: -21.622154 where: bonds (distance) C4'-P energy: -4.511 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -5.489 flat angles P-C4'-P energy: -5.304 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: 10, replica: 10 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -31.949472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.949472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.949472 (E_RNA) where: Base-Base interactions energy: -6.832 where: short stacking energy: -6.832 Base-Backbone interact. energy: -0.064 local terms energy: -25.053307 where: bonds (distance) C4'-P energy: -5.098 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -5.872 flat angles P-C4'-P energy: -5.970 tors. eta vs tors. theta energy: -0.832 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: 5 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -45.571232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.571232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.571232 (E_RNA) where: Base-Base interactions energy: -15.355 where: short stacking energy: -15.355 Base-Backbone interact. energy: -0.000 local terms energy: -30.215645 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.730 flat angles P-C4'-P energy: -4.840 tors. eta vs tors. theta energy: -6.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -37.239792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.239792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.239792 (E_RNA) where: Base-Base interactions energy: -11.166 where: short stacking energy: -11.166 Base-Backbone interact. energy: -0.137 local terms energy: -25.936995 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.201 flat angles P-C4'-P energy: -5.907 tors. eta vs tors. theta energy: -0.324 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: 36 Temperature: 1.000000 Total energy: -40.058956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.058956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.058956 (E_RNA) where: Base-Base interactions energy: -11.663 where: short stacking energy: -11.663 Base-Backbone interact. energy: -0.001 local terms energy: -28.395933 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.618 flat angles P-C4'-P energy: -5.200 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: 4, replica: 8 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -34.198805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.198805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.198805 (E_RNA) where: Base-Base interactions energy: -8.903 where: short stacking energy: -8.903 Base-Backbone interact. energy: -0.001 local terms energy: -25.295086 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -7.070 flat angles P-C4'-P energy: -5.276 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: 5, replica: 3 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -28.411962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.411962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.411962 (E_RNA) where: Base-Base interactions energy: -9.085 where: short stacking energy: -9.085 Base-Backbone interact. energy: -0.000 local terms energy: -19.326007 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -3.069 flat angles C4'-P-C4' energy: -4.996 flat angles P-C4'-P energy: -4.660 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: 6, replica: 9 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -37.299435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.299435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.299435 (E_RNA) where: Base-Base interactions energy: -11.868 where: short stacking energy: -11.868 Base-Backbone interact. energy: -0.001 local terms energy: -25.430267 where: bonds (distance) C4'-P energy: -4.651 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -6.516 flat angles P-C4'-P energy: -5.328 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: 7, replica: 2 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -28.699105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.699105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.699105 (E_RNA) where: Base-Base interactions energy: -5.524 where: short stacking energy: -4.332 Base-Backbone interact. energy: -0.022 local terms energy: -23.152441 where: bonds (distance) C4'-P energy: -5.289 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -7.396 flat angles P-C4'-P energy: -4.692 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: 8, replica: 1 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -34.311573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.311573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.311573 (E_RNA) where: Base-Base interactions energy: -12.986 where: short stacking energy: -12.986 Base-Backbone interact. energy: -0.094 local terms energy: -21.231812 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -4.793 flat angles C4'-P-C4' energy: -6.872 flat angles P-C4'-P energy: -1.842 tors. eta vs tors. theta energy: -0.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -30.386146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.386146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.386146 (E_RNA) where: Base-Base interactions energy: -7.982 where: short stacking energy: -7.982 Base-Backbone interact. energy: -0.041 local terms energy: -22.363873 where: bonds (distance) C4'-P energy: -5.835 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -5.296 flat angles P-C4'-P energy: -4.589 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: 10, replica: 7 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -27.077243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.077243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.077243 (E_RNA) where: Base-Base interactions energy: -7.129 where: short stacking energy: -7.129 Base-Backbone interact. energy: -0.113 local terms energy: -19.835583 where: bonds (distance) C4'-P energy: -4.731 bonds (distance) P-C4' energy: -6.010 flat angles C4'-P-C4' energy: -4.735 flat angles P-C4'-P energy: -4.033 tors. eta vs tors. theta energy: -0.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -43.127096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.127096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.127096 (E_RNA) where: Base-Base interactions energy: -14.250 where: short stacking energy: -13.153 Base-Backbone interact. energy: -0.005 local terms energy: -28.872486 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -6.178 flat angles P-C4'-P energy: -4.815 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: 4 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -36.680036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.680036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.680036 (E_RNA) where: Base-Base interactions energy: -12.188 where: short stacking energy: -12.188 Base-Backbone interact. energy: -0.000 local terms energy: -24.492420 where: bonds (distance) C4'-P energy: -4.742 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.058 flat angles P-C4'-P energy: -4.057 tors. eta vs tors. theta energy: -3.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -39.023606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.023606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.023606 (E_RNA) where: Base-Base interactions energy: -14.305 where: short stacking energy: -14.305 Base-Backbone interact. energy: -0.013 local terms energy: -24.706134 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -6.322 flat angles P-C4'-P energy: -3.132 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: 4, replica: 3 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -31.903865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.903865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.903865 (E_RNA) where: Base-Base interactions energy: -8.598 where: short stacking energy: -8.118 Base-Backbone interact. energy: -0.042 local terms energy: -23.264024 where: bonds (distance) C4'-P energy: -5.633 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.804 flat angles P-C4'-P energy: -3.635 tors. eta vs tors. theta energy: -0.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -31.000371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.000371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.000371 (E_RNA) where: Base-Base interactions energy: -6.478 where: short stacking energy: -7.378 Base-Backbone interact. energy: -0.055 local terms energy: -24.466984 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.487 flat angles P-C4'-P energy: -5.446 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: 6, replica: 2 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -29.174141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.174141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.174141 (E_RNA) where: Base-Base interactions energy: -3.712 where: short stacking energy: -3.712 Base-Backbone interact. energy: -0.384 local terms energy: -25.078429 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -5.745 flat angles C4'-P-C4' energy: -5.527 flat angles P-C4'-P energy: -4.795 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: 9 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -36.341990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.341990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.341990 (E_RNA) where: Base-Base interactions energy: -12.024 where: short stacking energy: -12.024 Base-Backbone interact. energy: -0.101 local terms energy: -24.217595 where: bonds (distance) C4'-P energy: -3.496 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -4.437 tors. eta vs tors. theta energy: -3.326 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: 10 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -28.990063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.990063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.990063 (E_RNA) where: Base-Base interactions energy: -6.651 where: short stacking energy: -6.651 Base-Backbone interact. energy: -0.000 local terms energy: -22.338591 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.094 flat angles P-C4'-P energy: -3.279 tors. eta vs tors. theta energy: -0.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -30.524613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.524613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.524613 (E_RNA) where: Base-Base interactions energy: -7.849 where: short stacking energy: -7.849 Base-Backbone interact. energy: -0.001 local terms energy: -22.674604 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.043 flat angles P-C4'-P energy: -0.423 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: 10, replica: 7 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -29.339898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.339898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.339898 (E_RNA) where: Base-Base interactions energy: -7.509 where: short stacking energy: -7.509 Base-Backbone interact. energy: -0.038 local terms energy: -21.792862 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -5.281 flat angles P-C4'-P energy: -4.638 tors. eta vs tors. theta energy: -0.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -41.860693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.860693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.860693 (E_RNA) where: Base-Base interactions energy: -15.043 where: short stacking energy: -15.043 Base-Backbone interact. energy: -0.083 local terms energy: -26.734685 where: bonds (distance) C4'-P energy: -4.829 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.589 flat angles P-C4'-P energy: -4.893 tors. eta vs tors. theta energy: -3.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -36.051603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.051603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.051603 (E_RNA) where: Base-Base interactions energy: -12.651 where: short stacking energy: -12.651 Base-Backbone interact. energy: -0.062 local terms energy: -23.338660 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.089 flat angles P-C4'-P energy: -3.071 tors. eta vs tors. theta energy: -0.636 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: 3 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -34.345846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.345846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.345846 (E_RNA) where: Base-Base interactions energy: -11.509 where: short stacking energy: -11.509 Base-Backbone interact. energy: -0.008 local terms energy: -22.828602 where: bonds (distance) C4'-P energy: -3.496 bonds (distance) P-C4' energy: -7.242 flat angles C4'-P-C4' energy: -7.520 flat angles P-C4'-P energy: -3.915 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: 4, replica: 6 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -36.852982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.852982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.852982 (E_RNA) where: Base-Base interactions energy: -11.412 where: short stacking energy: -11.412 Base-Backbone interact. energy: -0.126 local terms energy: -25.315456 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -6.072 flat angles P-C4'-P energy: -4.045 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: 5, replica: 2 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -39.385913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.385913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.385913 (E_RNA) where: Base-Base interactions energy: -14.087 where: short stacking energy: -14.087 Base-Backbone interact. energy: -0.023 local terms energy: -25.276326 where: bonds (distance) C4'-P energy: -6.100 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -5.148 flat angles P-C4'-P energy: -3.665 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: 6, replica: 8 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -33.610344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.610344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.610344 (E_RNA) where: Base-Base interactions energy: -8.209 where: short stacking energy: -8.209 Base-Backbone interact. energy: -0.000 local terms energy: -25.401416 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -4.948 flat angles C4'-P-C4' energy: -6.954 flat angles P-C4'-P energy: -4.379 tors. eta vs tors. theta energy: -3.182 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: 7, replica: 9 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -29.081985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.081985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.081985 (E_RNA) where: Base-Base interactions energy: -7.139 where: short stacking energy: -7.139 Base-Backbone interact. energy: -0.000 local terms energy: -21.942717 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -3.710 flat angles P-C4'-P energy: -1.568 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: 8, replica: 10 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -28.228256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.228256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.228256 (E_RNA) where: Base-Base interactions energy: -5.010 where: short stacking energy: -5.010 Base-Backbone interact. energy: -0.044 local terms energy: -23.173775 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -3.777 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: -4.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -28.733949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.733949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.733949 (E_RNA) where: Base-Base interactions energy: -5.098 where: short stacking energy: -5.098 Base-Backbone interact. energy: -0.000 local terms energy: -23.635641 where: bonds (distance) C4'-P energy: -5.595 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -3.963 flat angles P-C4'-P energy: -4.943 tors. eta vs tors. theta energy: -1.596 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: 1 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -28.621527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.621527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.621527 (E_RNA) where: Base-Base interactions energy: -7.313 where: short stacking energy: -7.313 Base-Backbone interact. energy: -0.006 local terms energy: -21.302862 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.220 flat angles P-C4'-P energy: -3.439 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: 1, replica: 4 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -37.885871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.885871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.885871 (E_RNA) where: Base-Base interactions energy: -10.085 where: short stacking energy: -10.085 Base-Backbone interact. energy: -0.106 local terms energy: -27.694978 where: bonds (distance) C4'-P energy: -5.335 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.349 flat angles P-C4'-P energy: -6.168 tors. eta vs tors. theta energy: -1.819 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: 3 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -39.424057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.424057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.424057 (E_RNA) where: Base-Base interactions energy: -13.253 where: short stacking energy: -13.253 Base-Backbone interact. energy: -0.008 local terms energy: -26.163175 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -4.057 flat angles C4'-P-C4' energy: -4.553 flat angles P-C4'-P energy: -5.977 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: 3, replica: 5 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -45.805929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.805929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.805929 (E_RNA) where: Base-Base interactions energy: -14.260 where: short stacking energy: -14.260 Base-Backbone interact. energy: -0.000 local terms energy: -31.545567 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -7.182 flat angles P-C4'-P energy: -5.363 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: 4, replica: 2 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -33.775337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.775337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.775337 (E_RNA) where: Base-Base interactions energy: -9.558 where: short stacking energy: -9.558 Base-Backbone interact. energy: -0.002 local terms energy: -24.215323 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -5.719 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -3.204 tors. eta vs tors. theta energy: -2.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -31.782696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.782696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.782696 (E_RNA) where: Base-Base interactions energy: -6.874 where: short stacking energy: -6.874 Base-Backbone interact. energy: -0.000 local terms energy: -24.908796 where: bonds (distance) C4'-P energy: -5.488 bonds (distance) P-C4' energy: -6.072 flat angles C4'-P-C4' energy: -6.252 flat angles P-C4'-P energy: -5.394 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: 6, replica: 9 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -32.277936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.277936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.277936 (E_RNA) where: Base-Base interactions energy: -7.390 where: short stacking energy: -7.390 Base-Backbone interact. energy: -0.085 local terms energy: -24.803121 where: bonds (distance) C4'-P energy: -4.030 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.134 flat angles P-C4'-P energy: -5.632 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: 8 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -29.219015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.219015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.219015 (E_RNA) where: Base-Base interactions energy: -9.133 where: short stacking energy: -9.133 Base-Backbone interact. energy: -0.027 local terms energy: -20.058983 where: bonds (distance) C4'-P energy: -4.635 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -3.518 flat angles P-C4'-P energy: -4.434 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: 8, replica: 7 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -32.837449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.837449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.837449 (E_RNA) where: Base-Base interactions energy: -7.259 where: short stacking energy: -7.259 Base-Backbone interact. energy: -0.042 local terms energy: -25.536228 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.659 flat angles C4'-P-C4' energy: -7.367 flat angles P-C4'-P energy: -5.144 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: 9, replica: 10 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -29.598206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.598206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.598206 (E_RNA) where: Base-Base interactions energy: -3.959 where: short stacking energy: -3.959 Base-Backbone interact. energy: -0.798 local terms energy: -24.841284 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.066 flat angles P-C4'-P energy: -5.502 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: 1 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -30.149532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.149532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.149532 (E_RNA) where: Base-Base interactions energy: -7.319 where: short stacking energy: -5.642 Base-Backbone interact. energy: -0.017 local terms energy: -22.813249 where: bonds (distance) C4'-P energy: -6.523 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.650 flat angles P-C4'-P energy: -5.111 tors. eta vs tors. theta energy: 1.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -37.382341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.382341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.382341 (E_RNA) where: Base-Base interactions energy: -12.708 where: short stacking energy: -11.188 Base-Backbone interact. energy: -0.026 local terms energy: -24.648954 where: bonds (distance) C4'-P energy: -5.542 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.409 flat angles P-C4'-P energy: -4.367 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: 2, replica: 3 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -37.518205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.518205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.518205 (E_RNA) where: Base-Base interactions energy: -14.737 where: short stacking energy: -11.301 Base-Backbone interact. energy: -0.085 local terms energy: -22.696344 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -4.934 flat angles P-C4'-P energy: -5.069 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: 3, replica: 2 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -41.040172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.040172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.040172 (E_RNA) where: Base-Base interactions energy: -13.232 where: short stacking energy: -13.232 Base-Backbone interact. energy: -0.000 local terms energy: -27.808450 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -5.640 flat angles P-C4'-P energy: -4.886 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: 4, replica: 5 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -33.338784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.338784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.338784 (E_RNA) where: Base-Base interactions energy: -7.530 where: short stacking energy: -7.530 Base-Backbone interact. energy: -0.066 local terms energy: -25.742588 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.694 flat angles P-C4'-P energy: -3.199 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: 5, replica: 9 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -33.577599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.577599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.577599 (E_RNA) where: Base-Base interactions energy: -7.671 where: short stacking energy: -7.671 Base-Backbone interact. energy: -0.003 local terms energy: -25.903678 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -7.225 flat angles P-C4'-P energy: -5.514 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: 6, replica: 6 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -35.767753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.767753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.767753 (E_RNA) where: Base-Base interactions energy: -10.982 where: short stacking energy: -7.268 Base-Backbone interact. energy: -0.000 local terms energy: -24.785230 where: bonds (distance) C4'-P energy: -5.719 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.018 flat angles P-C4'-P energy: -4.919 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: 7, replica: 7 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -29.489130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.489130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.489130 (E_RNA) where: Base-Base interactions energy: -5.340 where: short stacking energy: -5.340 Base-Backbone interact. energy: -0.049 local terms energy: -24.100406 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -6.877 flat angles P-C4'-P energy: -4.128 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: 8, replica: 8 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -33.718420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.718420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.718420 (E_RNA) where: Base-Base interactions energy: -11.287 where: short stacking energy: -11.287 Base-Backbone interact. energy: -0.070 local terms energy: -22.361350 where: bonds (distance) C4'-P energy: -3.207 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -4.879 flat angles P-C4'-P energy: -4.230 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: 9, replica: 1 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -32.252552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.252552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.252552 (E_RNA) where: Base-Base interactions energy: -9.640 where: short stacking energy: -9.640 Base-Backbone interact. energy: -0.018 local terms energy: -22.594200 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.377 flat angles P-C4'-P energy: -4.920 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: 10, replica: 10 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -29.073377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.073377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.073377 (E_RNA) where: Base-Base interactions energy: -7.536 where: short stacking energy: -7.536 Base-Backbone interact. energy: -0.011 local terms energy: -21.526251 where: bonds (distance) C4'-P energy: -5.857 bonds (distance) P-C4' energy: -4.346 flat angles C4'-P-C4' energy: -5.306 flat angles P-C4'-P energy: -3.770 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: 1, replica: 4 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -45.510079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.510079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.510079 (E_RNA) where: Base-Base interactions energy: -15.194 where: short stacking energy: -15.194 Base-Backbone interact. energy: -0.001 local terms energy: -30.315009 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.809 flat angles P-C4'-P energy: -5.422 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: 2, replica: 2 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -36.761561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.761561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.761561 (E_RNA) where: Base-Base interactions energy: -9.938 where: short stacking energy: -10.259 Base-Backbone interact. energy: -0.799 local terms energy: -26.023831 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.241 flat angles P-C4'-P energy: -4.937 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: 3, replica: 3 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -38.235087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.235087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.235087 (E_RNA) where: Base-Base interactions energy: -9.251 where: short stacking energy: -9.251 Base-Backbone interact. energy: -0.002 local terms energy: -28.982154 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.640 flat angles P-C4'-P energy: -4.202 tors. eta vs tors. theta energy: -3.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -34.978147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.978147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.978147 (E_RNA) where: Base-Base interactions energy: -9.089 where: short stacking energy: -8.408 Base-Backbone interact. energy: -0.041 local terms energy: -25.848520 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -6.118 flat angles P-C4'-P energy: -4.251 tors. eta vs tors. theta energy: -0.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -31.101597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.101597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.101597 (E_RNA) where: Base-Base interactions energy: -8.236 where: short stacking energy: -8.236 Base-Backbone interact. energy: -0.108 local terms energy: -22.757309 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.430 flat angles P-C4'-P energy: -5.073 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: 6, replica: 7 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -30.281474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.281474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.281474 (E_RNA) where: Base-Base interactions energy: -8.227 where: short stacking energy: -8.227 Base-Backbone interact. energy: -0.120 local terms energy: -21.934845 where: bonds (distance) C4'-P energy: -5.893 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.411 flat angles P-C4'-P energy: -3.730 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: 7, replica: 6 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -28.814213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.814213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.814213 (E_RNA) where: Base-Base interactions energy: -8.443 where: short stacking energy: -8.595 Base-Backbone interact. energy: -0.016 local terms energy: -20.355039 where: bonds (distance) C4'-P energy: -5.865 bonds (distance) P-C4' energy: -4.234 flat angles C4'-P-C4' energy: -6.674 flat angles P-C4'-P energy: -3.050 tors. eta vs tors. theta energy: -0.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -31.629012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.629012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.629012 (E_RNA) where: Base-Base interactions energy: -6.332 where: short stacking energy: -6.332 Base-Backbone interact. energy: -0.013 local terms energy: -25.284665 where: bonds (distance) C4'-P energy: -4.892 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.507 flat angles P-C4'-P energy: -2.523 tors. eta vs tors. theta energy: -3.568 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: 8 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -29.162398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.162398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.162398 (E_RNA) where: Base-Base interactions energy: -4.787 where: short stacking energy: -4.787 Base-Backbone interact. energy: -0.151 local terms energy: -24.224570 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -4.014 flat angles P-C4'-P energy: -4.355 tors. eta vs tors. theta energy: -2.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -26.199680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.199680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.199680 (E_RNA) where: Base-Base interactions energy: -4.383 where: short stacking energy: -4.092 Base-Backbone interact. energy: -0.195 local terms energy: -21.621882 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -6.014 flat angles P-C4'-P energy: -4.909 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: 1, replica: 2 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -40.731445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.731445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.731445 (E_RNA) where: Base-Base interactions energy: -12.962 where: short stacking energy: -12.962 Base-Backbone interact. energy: -0.005 local terms energy: -27.763966 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -6.984 flat angles P-C4'-P energy: -4.334 tors. eta vs tors. theta energy: -3.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -35.613929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.613929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.613929 (E_RNA) where: Base-Base interactions energy: -10.655 where: short stacking energy: -10.655 Base-Backbone interact. energy: -0.004 local terms energy: -24.954420 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.337 flat angles P-C4'-P energy: -5.195 tors. eta vs tors. theta energy: -0.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -39.132359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.132359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.132359 (E_RNA) where: Base-Base interactions energy: -12.645 where: short stacking energy: -12.645 Base-Backbone interact. energy: -0.150 local terms energy: -26.337277 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.812 flat angles P-C4'-P energy: -5.086 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: 4, replica: 3 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -38.311812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.311812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.311812 (E_RNA) where: Base-Base interactions energy: -13.075 where: short stacking energy: -13.075 Base-Backbone interact. energy: -0.000 local terms energy: -25.236693 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -6.138 flat angles P-C4'-P energy: -3.599 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: 5, replica: 7 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -36.339743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.339743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.339743 (E_RNA) where: Base-Base interactions energy: -9.980 where: short stacking energy: -9.980 Base-Backbone interact. energy: -0.000 local terms energy: -26.359470 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.660 flat angles P-C4'-P energy: -3.623 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: 6, replica: 5 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -29.564690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.564690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.564690 (E_RNA) where: Base-Base interactions energy: -7.588 where: short stacking energy: -6.000 Base-Backbone interact. energy: -0.098 local terms energy: -21.878146 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -4.636 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: 7, replica: 6 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -37.799818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.799818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.799818 (E_RNA) where: Base-Base interactions energy: -11.070 where: short stacking energy: -11.070 Base-Backbone interact. energy: -0.068 local terms energy: -26.661797 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.104 flat angles P-C4'-P energy: -3.214 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: 8, replica: 1 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -29.571197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.571197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.571197 (E_RNA) where: Base-Base interactions energy: -6.475 where: short stacking energy: -6.475 Base-Backbone interact. energy: -0.002 local terms energy: -23.094690 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -4.784 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -4.655 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: 9, replica: 10 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -32.603346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.603346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.603346 (E_RNA) where: Base-Base interactions energy: -8.100 where: short stacking energy: -8.100 Base-Backbone interact. energy: -0.031 local terms energy: -24.471640 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.460 flat angles P-C4'-P energy: -3.764 tors. eta vs tors. theta energy: -1.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -28.086020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.086020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.086020 (E_RNA) where: Base-Base interactions energy: -8.118 where: short stacking energy: -8.118 Base-Backbone interact. energy: -0.007 local terms energy: -19.961141 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -3.536 flat angles P-C4'-P energy: -2.973 tors. eta vs tors. theta energy: -0.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -41.761462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.761462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.761462 (E_RNA) where: Base-Base interactions energy: -14.164 where: short stacking energy: -14.164 Base-Backbone interact. energy: -0.006 local terms energy: -27.591577 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -7.288 flat angles P-C4'-P energy: -5.355 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: 9 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -38.724245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.724245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.724245 (E_RNA) where: Base-Base interactions energy: -10.676 where: short stacking energy: -10.676 Base-Backbone interact. energy: -0.298 local terms energy: -27.750114 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -7.503 flat angles P-C4'-P energy: -3.019 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: 3, replica: 4 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -34.635925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.635925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.635925 (E_RNA) where: Base-Base interactions energy: -9.999 where: short stacking energy: -9.999 Base-Backbone interact. energy: -0.026 local terms energy: -24.611115 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.544 flat angles P-C4'-P energy: -4.387 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: 4, replica: 7 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -31.601975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.601975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.601975 (E_RNA) where: Base-Base interactions energy: -8.080 where: short stacking energy: -8.080 Base-Backbone interact. energy: -0.045 local terms energy: -23.477635 where: bonds (distance) C4'-P energy: -5.339 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.526 flat angles P-C4'-P energy: -3.482 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: 5, replica: 3 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -39.400745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.400745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.400745 (E_RNA) where: Base-Base interactions energy: -14.113 where: short stacking energy: -14.113 Base-Backbone interact. energy: -0.004 local terms energy: -25.283804 where: bonds (distance) C4'-P energy: -4.188 bonds (distance) P-C4' energy: -5.959 flat angles C4'-P-C4' energy: -6.204 flat angles P-C4'-P energy: -4.119 tors. eta vs tors. theta energy: -4.813 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: 5 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -30.683884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.683884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.683884 (E_RNA) where: Base-Base interactions energy: -6.713 where: short stacking energy: -6.785 Base-Backbone interact. energy: -0.025 local terms energy: -23.945177 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -4.723 flat angles P-C4'-P energy: -4.817 tors. eta vs tors. theta energy: -1.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -28.499115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.499115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.499115 (E_RNA) where: Base-Base interactions energy: -5.527 where: short stacking energy: -5.527 Base-Backbone interact. energy: -0.066 local terms energy: -22.907017 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.009 flat angles P-C4'-P energy: -3.101 tors. eta vs tors. theta energy: -0.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -28.070293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.070293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.070293 (E_RNA) where: Base-Base interactions energy: -3.626 where: short stacking energy: -3.626 Base-Backbone interact. energy: -0.079 local terms energy: -24.364721 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -6.394 flat angles P-C4'-P energy: -3.700 tors. eta vs tors. theta energy: -0.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -29.041555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.041555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.041555 (E_RNA) where: Base-Base interactions energy: -3.976 where: short stacking energy: -3.976 Base-Backbone interact. energy: -0.001 local terms energy: -25.063830 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.548 flat angles P-C4'-P energy: -5.634 tors. eta vs tors. theta energy: -0.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -28.885278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.885278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.885278 (E_RNA) where: Base-Base interactions energy: -5.143 where: short stacking energy: -5.143 Base-Backbone interact. energy: -0.099 local terms energy: -23.643361 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -3.398 flat angles P-C4'-P energy: -3.362 tors. eta vs tors. theta energy: -4.429 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: 9 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -41.774775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.774775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.774775 (E_RNA) where: Base-Base interactions energy: -14.860 where: short stacking energy: -14.860 Base-Backbone interact. energy: -0.005 local terms energy: -26.909671 where: bonds (distance) C4'-P energy: -6.722 bonds (distance) P-C4' energy: -6.339 flat angles C4'-P-C4' energy: -6.073 flat angles P-C4'-P energy: -5.773 tors. eta vs tors. theta energy: -2.003 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: 2 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -37.586397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.586397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.586397 (E_RNA) where: Base-Base interactions energy: -9.409 where: short stacking energy: -9.409 Base-Backbone interact. energy: -0.000 local terms energy: -28.176992 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.052 flat angles P-C4'-P energy: -5.191 tors. eta vs tors. theta energy: -3.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -34.769932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.769932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.769932 (E_RNA) where: Base-Base interactions energy: -11.017 where: short stacking energy: -11.017 Base-Backbone interact. energy: -0.056 local terms energy: -23.697006 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -5.742 flat angles C4'-P-C4' energy: -5.888 flat angles P-C4'-P energy: -4.542 tors. eta vs tors. theta energy: -1.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -40.212831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.212831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.212831 (E_RNA) where: Base-Base interactions energy: -10.569 where: short stacking energy: -10.569 Base-Backbone interact. energy: -0.000 local terms energy: -29.643931 where: bonds (distance) C4'-P energy: -5.488 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -6.360 flat angles P-C4'-P energy: -5.135 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: 5, replica: 5 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -35.835034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.835034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.835034 (E_RNA) where: Base-Base interactions energy: -10.411 where: short stacking energy: -10.411 Base-Backbone interact. energy: -0.000 local terms energy: -25.423685 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.653 flat angles P-C4'-P energy: -4.394 tors. eta vs tors. theta energy: -1.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -31.805655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.805655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.805655 (E_RNA) where: Base-Base interactions energy: -10.632 where: short stacking energy: -10.632 Base-Backbone interact. energy: -0.056 local terms energy: -21.118018 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -6.670 flat angles P-C4'-P energy: -2.895 tors. eta vs tors. theta energy: -0.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -31.052215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.052215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.052215 (E_RNA) where: Base-Base interactions energy: -7.720 where: short stacking energy: -7.720 Base-Backbone interact. energy: -0.154 local terms energy: -23.178694 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.699 flat angles P-C4'-P energy: -4.084 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: 8, replica: 6 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -34.783963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.783963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.783963 (E_RNA) where: Base-Base interactions energy: -11.590 where: short stacking energy: -11.590 Base-Backbone interact. energy: -0.094 local terms energy: -23.099403 where: bonds (distance) C4'-P energy: -2.323 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.520 flat angles P-C4'-P energy: -2.819 tors. eta vs tors. theta energy: -3.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -30.222522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.222522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.222522 (E_RNA) where: Base-Base interactions energy: -3.713 where: short stacking energy: -3.713 Base-Backbone interact. energy: -0.011 local terms energy: -26.498216 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -4.871 flat angles P-C4'-P energy: -5.003 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: 10 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -32.495601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.495601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.495601 (E_RNA) where: Base-Base interactions energy: -9.407 where: short stacking energy: -9.407 Base-Backbone interact. energy: -0.000 local terms energy: -23.088333 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.371 flat angles P-C4'-P energy: -2.767 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: 1, replica: 9 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -35.796096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.796096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.796096 (E_RNA) where: Base-Base interactions energy: -9.421 where: short stacking energy: -9.421 Base-Backbone interact. energy: -0.041 local terms energy: -26.334245 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.676 flat angles P-C4'-P energy: -4.455 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: 2, replica: 2 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -41.254896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.254896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.254896 (E_RNA) where: Base-Base interactions energy: -13.885 where: short stacking energy: -13.885 Base-Backbone interact. energy: -0.004 local terms energy: -27.366190 where: bonds (distance) C4'-P energy: -5.563 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -7.343 flat angles P-C4'-P energy: -5.216 tors. eta vs tors. theta energy: -3.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -32.981239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.981239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.981239 (E_RNA) where: Base-Base interactions energy: -6.831 where: short stacking energy: -6.831 Base-Backbone interact. energy: -0.001 local terms energy: -26.149283 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.010 flat angles P-C4'-P energy: -3.351 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: 4, replica: 5 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -34.451143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.451143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.451143 (E_RNA) where: Base-Base interactions energy: -10.990 where: short stacking energy: -10.990 Base-Backbone interact. energy: -0.002 local terms energy: -23.459065 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.461 flat angles P-C4'-P energy: -3.920 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: 5, replica: 4 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -29.402871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.402871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.402871 (E_RNA) where: Base-Base interactions energy: -10.690 where: short stacking energy: -10.690 Base-Backbone interact. energy: -0.100 local terms energy: -18.612596 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -4.793 flat angles C4'-P-C4' energy: -3.311 flat angles P-C4'-P energy: -5.077 tors. eta vs tors. theta energy: 1.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -29.574685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.574685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.574685 (E_RNA) where: Base-Base interactions energy: -4.549 where: short stacking energy: -4.549 Base-Backbone interact. energy: -0.020 local terms energy: -25.006077 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.178 flat angles C4'-P-C4' energy: -4.752 flat angles P-C4'-P energy: -5.545 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: 7, replica: 3 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -28.365241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.365241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.365241 (E_RNA) where: Base-Base interactions energy: -6.262 where: short stacking energy: -6.262 Base-Backbone interact. energy: -0.021 local terms energy: -22.082570 where: bonds (distance) C4'-P energy: -5.658 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.296 flat angles P-C4'-P energy: -2.124 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: 8, replica: 8 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -30.230712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.230712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.230712 (E_RNA) where: Base-Base interactions energy: -7.053 where: short stacking energy: -7.053 Base-Backbone interact. energy: -0.004 local terms energy: -23.173461 where: bonds (distance) C4'-P energy: -5.893 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -6.375 flat angles P-C4'-P energy: -2.956 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: 9, replica: 6 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -32.990059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.990059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.990059 (E_RNA) where: Base-Base interactions energy: -9.785 where: short stacking energy: -9.785 Base-Backbone interact. energy: -0.061 local terms energy: -23.143939 where: bonds (distance) C4'-P energy: -5.674 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -6.000 flat angles P-C4'-P energy: -4.179 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: 10, replica: 10 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -30.240728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.240728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.240728 (E_RNA) where: Base-Base interactions energy: -8.997 where: short stacking energy: -8.997 Base-Backbone interact. energy: -0.000 local terms energy: -21.244076 where: bonds (distance) C4'-P energy: -4.526 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -6.411 flat angles P-C4'-P energy: -3.413 tors. eta vs tors. theta energy: -0.138 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: 1, replica: 2 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -41.114404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.114404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.114404 (E_RNA) where: Base-Base interactions energy: -13.295 where: short stacking energy: -13.295 Base-Backbone interact. energy: -0.000 local terms energy: -27.819526 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -7.081 flat angles P-C4'-P energy: -4.872 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: 9 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -37.669359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.669359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.669359 (E_RNA) where: Base-Base interactions energy: -11.111 where: short stacking energy: -11.111 Base-Backbone interact. energy: -0.909 local terms energy: -25.649534 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.788 flat angles P-C4'-P energy: -3.733 tors. eta vs tors. theta energy: -1.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -41.904057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.904057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.904057 (E_RNA) where: Base-Base interactions energy: -13.957 where: short stacking energy: -13.957 Base-Backbone interact. energy: -0.002 local terms energy: -27.944907 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.579 flat angles P-C4'-P energy: -4.708 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: 7 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -34.324033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.324033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.324033 (E_RNA) where: Base-Base interactions energy: -8.812 where: short stacking energy: -8.812 Base-Backbone interact. energy: -0.013 local terms energy: -25.498517 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -7.781 flat angles C4'-P-C4' energy: -3.983 flat angles P-C4'-P energy: -5.574 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: 5, replica: 1 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -37.743082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.743082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.743082 (E_RNA) where: Base-Base interactions energy: -9.983 where: short stacking energy: -9.983 Base-Backbone interact. energy: -0.001 local terms energy: -27.759077 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -5.649 flat angles C4'-P-C4' energy: -6.848 flat angles P-C4'-P energy: -4.654 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: 6, replica: 4 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -33.566673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.566673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.566673 (E_RNA) where: Base-Base interactions energy: -8.928 where: short stacking energy: -8.928 Base-Backbone interact. energy: -0.713 local terms energy: -23.924832 where: bonds (distance) C4'-P energy: -5.165 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.313 flat angles P-C4'-P energy: -4.068 tors. eta vs tors. theta energy: -1.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -33.645554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.645554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.645554 (E_RNA) where: Base-Base interactions energy: -10.657 where: short stacking energy: -10.657 Base-Backbone interact. energy: -0.000 local terms energy: -22.988231 where: bonds (distance) C4'-P energy: -4.813 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -2.470 tors. eta vs tors. theta energy: -2.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -35.823433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.823433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.823433 (E_RNA) where: Base-Base interactions energy: -10.351 where: short stacking energy: -10.351 Base-Backbone interact. energy: -0.100 local terms energy: -25.372675 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.592 flat angles P-C4'-P energy: -3.910 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: 9, replica: 10 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -33.039132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.039132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.039132 (E_RNA) where: Base-Base interactions energy: -10.565 where: short stacking energy: -10.565 Base-Backbone interact. energy: -0.001 local terms energy: -22.472462 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.075 flat angles C4'-P-C4' energy: -4.134 flat angles P-C4'-P energy: -3.501 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: 10, replica: 6 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -27.185555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.185555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.185555 (E_RNA) where: Base-Base interactions energy: -9.241 where: short stacking energy: -7.747 Base-Backbone interact. energy: -0.172 local terms energy: -17.772156 where: bonds (distance) C4'-P energy: -5.483 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -3.941 flat angles P-C4'-P energy: -3.027 tors. eta vs tors. theta energy: 2.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -39.968236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.968236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.968236 (E_RNA) where: Base-Base interactions energy: -11.005 where: short stacking energy: -11.005 Base-Backbone interact. energy: -0.671 local terms energy: -28.291568 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.765 flat angles P-C4'-P energy: -4.139 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: 5 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -38.227134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.227134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.227134 (E_RNA) where: Base-Base interactions energy: -11.316 where: short stacking energy: -11.316 Base-Backbone interact. energy: -0.000 local terms energy: -26.910698 where: bonds (distance) C4'-P energy: -7.433 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.375 flat angles P-C4'-P energy: -3.244 tors. eta vs tors. theta energy: -2.322 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: 9 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -35.221306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.221306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.221306 (E_RNA) where: Base-Base interactions energy: -8.855 where: short stacking energy: -8.855 Base-Backbone interact. energy: -0.135 local terms energy: -26.230882 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.112 flat angles P-C4'-P energy: -5.812 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: 4, replica: 1 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -40.343498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.343498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.343498 (E_RNA) where: Base-Base interactions energy: -12.790 where: short stacking energy: -12.790 Base-Backbone interact. energy: -0.000 local terms energy: -27.553017 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -5.493 flat angles P-C4'-P energy: -3.289 tors. eta vs tors. theta energy: -6.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -30.901427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.901427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.901427 (E_RNA) where: Base-Base interactions energy: -7.713 where: short stacking energy: -7.713 Base-Backbone interact. energy: -0.004 local terms energy: -23.185123 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -5.587 flat angles P-C4'-P energy: -5.013 tors. eta vs tors. theta energy: 0.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -34.922062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.922062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.922062 (E_RNA) where: Base-Base interactions energy: -9.746 where: short stacking energy: -9.746 Base-Backbone interact. energy: -0.029 local terms energy: -25.147086 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -5.513 flat angles P-C4'-P energy: -4.672 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: 7, replica: 4 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -33.161308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.161308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.161308 (E_RNA) where: Base-Base interactions energy: -8.589 where: short stacking energy: -8.589 Base-Backbone interact. energy: -0.000 local terms energy: -24.572153 where: bonds (distance) C4'-P energy: -3.621 bonds (distance) P-C4' energy: -5.742 flat angles C4'-P-C4' energy: -6.826 flat angles P-C4'-P energy: -2.905 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: 8, replica: 10 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -28.382053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.382053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.382053 (E_RNA) where: Base-Base interactions energy: -7.743 where: short stacking energy: -7.743 Base-Backbone interact. energy: -0.031 local terms energy: -20.608400 where: bonds (distance) C4'-P energy: -5.326 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -4.889 flat angles P-C4'-P energy: -3.926 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: 9, replica: 3 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -31.759096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.759096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.759096 (E_RNA) where: Base-Base interactions energy: -7.589 where: short stacking energy: -7.589 Base-Backbone interact. energy: -0.096 local terms energy: -24.073275 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -6.176 flat angles P-C4'-P energy: -4.960 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: 10, replica: 6 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -31.089541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.089541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.089541 (E_RNA) where: Base-Base interactions energy: -6.062 where: short stacking energy: -6.114 Base-Backbone interact. energy: -0.006 local terms energy: -25.021208 where: bonds (distance) C4'-P energy: -4.688 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -6.162 flat angles P-C4'-P energy: -5.201 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: 1, replica: 5 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -37.792589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.792589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.792589 (E_RNA) where: Base-Base interactions energy: -10.240 where: short stacking energy: -10.240 Base-Backbone interact. energy: -0.005 local terms energy: -27.547634 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.940 flat angles P-C4'-P energy: -4.163 tors. eta vs tors. theta energy: -2.807 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: 2, replica: 2 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -40.116002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.116002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.116002 (E_RNA) where: Base-Base interactions energy: -15.785 where: short stacking energy: -15.785 Base-Backbone interact. energy: -0.000 local terms energy: -24.330347 where: bonds (distance) C4'-P energy: -5.723 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -4.904 flat angles P-C4'-P energy: -3.320 tors. eta vs tors. theta energy: -4.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -37.410803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.410803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.410803 (E_RNA) where: Base-Base interactions energy: -10.156 where: short stacking energy: -10.156 Base-Backbone interact. energy: -0.000 local terms energy: -27.254350 where: bonds (distance) C4'-P energy: -4.250 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -5.885 flat angles P-C4'-P energy: -5.645 tors. eta vs tors. theta energy: -4.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -33.805360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.805360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.805360 (E_RNA) where: Base-Base interactions energy: -8.788 where: short stacking energy: -8.788 Base-Backbone interact. energy: -0.010 local terms energy: -25.006890 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -6.516 flat angles P-C4'-P energy: -3.909 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: 5, replica: 8 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -31.000894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.000894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.000894 (E_RNA) where: Base-Base interactions energy: -8.324 where: short stacking energy: -8.324 Base-Backbone interact. energy: -0.020 local terms energy: -22.656636 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -4.487 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: 6, replica: 7 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -37.092898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.092898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.092898 (E_RNA) where: Base-Base interactions energy: -10.317 where: short stacking energy: -10.317 Base-Backbone interact. energy: -0.000 local terms energy: -26.776144 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -6.546 flat angles P-C4'-P energy: -4.849 tors. eta vs tors. theta energy: -2.406 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: 10 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -31.590845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.590845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.590845 (E_RNA) where: Base-Base interactions energy: -5.545 where: short stacking energy: -5.545 Base-Backbone interact. energy: -0.120 local terms energy: -25.925675 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -6.458 flat angles P-C4'-P energy: -4.918 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: 4 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -29.710048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.710048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.710048 (E_RNA) where: Base-Base interactions energy: -7.041 where: short stacking energy: -7.041 Base-Backbone interact. energy: -0.024 local terms energy: -22.644307 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -7.681 flat angles P-C4'-P energy: -2.791 tors. eta vs tors. theta energy: 1.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -30.653736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.653736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.653736 (E_RNA) where: Base-Base interactions energy: -10.365 where: short stacking energy: -10.365 Base-Backbone interact. energy: -0.009 local terms energy: -20.279830 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.064 flat angles P-C4'-P energy: -1.898 tors. eta vs tors. theta energy: 0.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -29.041241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.041241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.041241 (E_RNA) where: Base-Base interactions energy: -6.652 where: short stacking energy: -6.652 Base-Backbone interact. energy: -0.011 local terms energy: -22.378284 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -6.614 flat angles P-C4'-P energy: -3.785 tors. eta vs tors. theta energy: -0.597 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: 1, replica: 5 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -42.367507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.367507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.367507 (E_RNA) where: Base-Base interactions energy: -14.386 where: short stacking energy: -14.386 Base-Backbone interact. energy: -0.019 local terms energy: -27.961914 where: bonds (distance) C4'-P energy: -4.942 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.852 flat angles P-C4'-P energy: -5.454 tors. eta vs tors. theta energy: -3.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -37.982304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.982304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.982304 (E_RNA) where: Base-Base interactions energy: -12.243 where: short stacking energy: -10.795 Base-Backbone interact. energy: -0.004 local terms energy: -25.734821 where: bonds (distance) C4'-P energy: -5.273 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.539 flat angles P-C4'-P energy: -5.987 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: 3, replica: 2 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -38.994767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.994767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.994767 (E_RNA) where: Base-Base interactions energy: -12.244 where: short stacking energy: -12.244 Base-Backbone interact. energy: -0.000 local terms energy: -26.750155 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -6.620 flat angles P-C4'-P energy: -4.584 tors. eta vs tors. theta energy: -3.690 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: 8 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -35.476925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.476925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.476925 (E_RNA) where: Base-Base interactions energy: -10.541 where: short stacking energy: -10.541 Base-Backbone interact. energy: -0.137 local terms energy: -24.798899 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -6.234 flat angles P-C4'-P energy: -4.220 tors. eta vs tors. theta energy: -2.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -33.363845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.363845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.363845 (E_RNA) where: Base-Base interactions energy: -5.783 where: short stacking energy: -5.783 Base-Backbone interact. energy: -0.045 local terms energy: -27.535887 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.648 flat angles P-C4'-P energy: -4.266 tors. eta vs tors. theta energy: -2.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -34.776021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.776021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.776021 (E_RNA) where: Base-Base interactions energy: -7.792 where: short stacking energy: -7.792 Base-Backbone interact. energy: -0.052 local terms energy: -26.931836 where: bonds (distance) C4'-P energy: -6.291 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.058 flat angles P-C4'-P energy: -4.426 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: 49 Temperature: 1.200000 Total energy: -28.356788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.356788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.356788 (E_RNA) where: Base-Base interactions energy: -6.498 where: short stacking energy: -6.498 Base-Backbone interact. energy: -0.078 local terms energy: -21.780711 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -6.573 flat angles C4'-P-C4' energy: -5.160 flat angles P-C4'-P energy: -3.902 tors. eta vs tors. theta energy: -0.307 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: 3 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -29.010352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.010352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.010352 (E_RNA) where: Base-Base interactions energy: -4.538 where: short stacking energy: -4.538 Base-Backbone interact. energy: -0.002 local terms energy: -24.470401 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -6.073 flat angles P-C4'-P energy: -4.513 tors. eta vs tors. theta energy: -1.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -32.332036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.332036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.332036 (E_RNA) where: Base-Base interactions energy: -8.933 where: short stacking energy: -7.019 Base-Backbone interact. energy: -1.513 local terms energy: -21.885970 where: bonds (distance) C4'-P energy: -5.545 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -2.731 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: 10, replica: 6 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -26.768245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.768245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.768245 (E_RNA) where: Base-Base interactions energy: -7.731 where: short stacking energy: -7.731 Base-Backbone interact. energy: -0.096 local terms energy: -18.941771 where: bonds (distance) C4'-P energy: -6.125 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -3.666 flat angles P-C4'-P energy: -2.997 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: 1, replica: 1 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -40.767698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.767698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.767698 (E_RNA) where: Base-Base interactions energy: -11.661 where: short stacking energy: -11.661 Base-Backbone interact. energy: -0.000 local terms energy: -29.106126 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -6.011 flat angles P-C4'-P energy: -5.000 tors. eta vs tors. theta energy: -4.350 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: 2, replica: 5 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -37.669064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.669064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.669064 (E_RNA) where: Base-Base interactions energy: -11.040 where: short stacking energy: -11.040 Base-Backbone interact. energy: -0.005 local terms energy: -26.623765 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -5.022 flat angles P-C4'-P energy: -5.359 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: 3, replica: 2 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -36.019689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.019689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.019689 (E_RNA) where: Base-Base interactions energy: -9.883 where: short stacking energy: -9.883 Base-Backbone interact. energy: -0.007 local terms energy: -26.129675 where: bonds (distance) C4'-P energy: -6.580 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -5.092 flat angles P-C4'-P energy: -4.069 tors. eta vs tors. theta energy: -3.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -35.277309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.277309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.277309 (E_RNA) where: Base-Base interactions energy: -12.139 where: short stacking energy: -12.139 Base-Backbone interact. energy: -0.047 local terms energy: -23.091689 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -4.591 flat angles C4'-P-C4' energy: -6.605 flat angles P-C4'-P energy: -3.156 tors. eta vs tors. theta energy: -2.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -33.297456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.297456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.297456 (E_RNA) where: Base-Base interactions energy: -10.763 where: short stacking energy: -10.763 Base-Backbone interact. energy: -0.061 local terms energy: -22.473136 where: bonds (distance) C4'-P energy: -5.404 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -6.322 flat angles P-C4'-P energy: -3.599 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: 6, replica: 9 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -29.444931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.444931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.444931 (E_RNA) where: Base-Base interactions energy: -7.096 where: short stacking energy: -7.096 Base-Backbone interact. energy: -0.062 local terms energy: -22.286560 where: bonds (distance) C4'-P energy: -5.968 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -6.610 flat angles P-C4'-P energy: -3.281 tors. eta vs tors. theta energy: -0.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -31.701847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.701847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.701847 (E_RNA) where: Base-Base interactions energy: -11.499 where: short stacking energy: -11.499 Base-Backbone interact. energy: -0.132 local terms energy: -20.070979 where: bonds (distance) C4'-P energy: -1.704 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -2.151 flat angles P-C4'-P energy: -3.433 tors. eta vs tors. theta energy: -5.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -30.738102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.738102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.738102 (E_RNA) where: Base-Base interactions energy: -8.361 where: short stacking energy: -8.361 Base-Backbone interact. energy: -0.010 local terms energy: -22.367347 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -5.765 flat angles C4'-P-C4' energy: -6.367 flat angles P-C4'-P energy: -3.849 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: 9, replica: 4 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -32.664341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.664341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.664341 (E_RNA) where: Base-Base interactions energy: -6.550 where: short stacking energy: -6.550 Base-Backbone interact. energy: -0.000 local terms energy: -26.113743 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -7.467 flat angles P-C4'-P energy: -4.521 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: 10, replica: 6 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -26.031965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.031965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.031965 (E_RNA) where: Base-Base interactions energy: -6.329 where: short stacking energy: -6.329 Base-Backbone interact. energy: -0.023 local terms energy: -19.679976 where: bonds (distance) C4'-P energy: -4.444 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.645 flat angles P-C4'-P energy: 0.163 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: 1, replica: 1 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -40.465808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.465808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.465808 (E_RNA) where: Base-Base interactions energy: -14.004 where: short stacking energy: -14.004 Base-Backbone interact. energy: -0.000 local terms energy: -26.461701 where: bonds (distance) C4'-P energy: -4.854 bonds (distance) P-C4' energy: -7.054 flat angles C4'-P-C4' energy: -5.523 flat angles P-C4'-P energy: -4.777 tors. eta vs tors. theta energy: -4.254 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: 2 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -38.767506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.767506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.767506 (E_RNA) where: Base-Base interactions energy: -11.788 where: short stacking energy: -11.788 Base-Backbone interact. energy: -0.132 local terms energy: -26.848106 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -4.179 flat angles P-C4'-P energy: -4.396 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: 3, replica: 5 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -37.323580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.323580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.323580 (E_RNA) where: Base-Base interactions energy: -11.125 where: short stacking energy: -11.125 Base-Backbone interact. energy: -0.000 local terms energy: -26.197780 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -5.317 flat angles P-C4'-P energy: -5.546 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: 4, replica: 7 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -32.558205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.558205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.558205 (E_RNA) where: Base-Base interactions energy: -7.357 where: short stacking energy: -7.357 Base-Backbone interact. energy: -0.073 local terms energy: -25.127995 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.828 flat angles P-C4'-P energy: -4.689 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: 5, replica: 8 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -36.324825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.324825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.324825 (E_RNA) where: Base-Base interactions energy: -6.677 where: short stacking energy: -6.677 Base-Backbone interact. energy: -0.797 local terms energy: -28.851507 where: bonds (distance) C4'-P energy: -7.226 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.584 flat angles P-C4'-P energy: -5.356 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: 6, replica: 3 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -32.422428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.422428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.422428 (E_RNA) where: Base-Base interactions energy: -8.645 where: short stacking energy: -9.524 Base-Backbone interact. energy: -0.021 local terms energy: -23.756871 where: bonds (distance) C4'-P energy: -4.395 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -5.272 tors. eta vs tors. theta energy: -3.219 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: 9 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -30.941326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.941326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.941326 (E_RNA) where: Base-Base interactions energy: -7.262 where: short stacking energy: -7.844 Base-Backbone interact. energy: -0.112 local terms energy: -23.567217 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -6.555 flat angles P-C4'-P energy: -2.479 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: 8, replica: 4 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -30.460271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.460271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.460271 (E_RNA) where: Base-Base interactions energy: -10.878 where: short stacking energy: -10.878 Base-Backbone interact. energy: -0.045 local terms energy: -19.537096 where: bonds (distance) C4'-P energy: -3.512 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.375 flat angles P-C4'-P energy: -3.141 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: 9, replica: 10 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -27.531381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.531381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.531381 (E_RNA) where: Base-Base interactions energy: -4.569 where: short stacking energy: -4.569 Base-Backbone interact. energy: -0.099 local terms energy: -22.863410 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -5.948 flat angles P-C4'-P energy: -5.023 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: 10, replica: 6 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -31.534321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.534321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.534321 (E_RNA) where: Base-Base interactions energy: -9.233 where: short stacking energy: -9.233 Base-Backbone interact. energy: -0.000 local terms energy: -22.301104 where: bonds (distance) C4'-P energy: -4.862 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -6.154 flat angles P-C4'-P energy: -2.431 tors. eta vs tors. theta energy: -3.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -39.025613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.025613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.025613 (E_RNA) where: Base-Base interactions energy: -9.363 where: short stacking energy: -9.363 Base-Backbone interact. energy: -0.000 local terms energy: -29.662080 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.390 flat angles P-C4'-P energy: -4.866 tors. eta vs tors. theta energy: -4.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -37.077792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.077792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.077792 (E_RNA) where: Base-Base interactions energy: -11.953 where: short stacking energy: -11.451 Base-Backbone interact. energy: -0.001 local terms energy: -25.124296 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.675 flat angles P-C4'-P energy: -3.035 tors. eta vs tors. theta energy: -3.684 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: 7 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -36.567393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.567393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.567393 (E_RNA) where: Base-Base interactions energy: -11.154 where: short stacking energy: -11.154 Base-Backbone interact. energy: -0.048 local terms energy: -25.365415 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -5.315 flat angles C4'-P-C4' energy: -6.866 flat angles P-C4'-P energy: -4.884 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: 4, replica: 5 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -40.079405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.079405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.079405 (E_RNA) where: Base-Base interactions energy: -15.081 where: short stacking energy: -12.769 Base-Backbone interact. energy: -0.255 local terms energy: -24.743442 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -5.976 flat angles C4'-P-C4' energy: -5.844 flat angles P-C4'-P energy: -5.366 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: 5, replica: 3 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -36.152630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.152630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.152630 (E_RNA) where: Base-Base interactions energy: -9.469 where: short stacking energy: -9.469 Base-Backbone interact. energy: -0.000 local terms energy: -26.683324 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.439 flat angles P-C4'-P energy: -3.698 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: 6, replica: 8 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -32.533777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.533777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.533777 (E_RNA) where: Base-Base interactions energy: -8.903 where: short stacking energy: -8.903 Base-Backbone interact. energy: -0.012 local terms energy: -23.619340 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.200 flat angles P-C4'-P energy: -5.820 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: 7, replica: 4 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -37.930373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.930373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.930373 (E_RNA) where: Base-Base interactions energy: -8.431 where: short stacking energy: -8.431 Base-Backbone interact. energy: -0.015 local terms energy: -29.484892 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.531 flat angles P-C4'-P energy: -4.906 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: 8, replica: 9 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -28.513365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.513365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.513365 (E_RNA) where: Base-Base interactions energy: -1.407 where: short stacking energy: -1.407 Base-Backbone interact. energy: -0.000 local terms energy: -27.106077 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.613 flat angles P-C4'-P energy: -5.826 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: 9, replica: 6 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -32.023971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.023971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.023971 (E_RNA) where: Base-Base interactions energy: -10.046 where: short stacking energy: -10.046 Base-Backbone interact. energy: -0.113 local terms energy: -21.864897 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -5.248 flat angles C4'-P-C4' energy: -4.806 flat angles P-C4'-P energy: -4.204 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: 10 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -29.437630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.437630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.437630 (E_RNA) where: Base-Base interactions energy: -10.485 where: short stacking energy: -10.485 Base-Backbone interact. energy: -0.196 local terms energy: -18.757079 where: bonds (distance) C4'-P energy: -4.481 bonds (distance) P-C4' energy: -5.357 flat angles C4'-P-C4' energy: -7.194 flat angles P-C4'-P energy: -1.941 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: 1, replica: 1 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -38.838776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.838776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.838776 (E_RNA) where: Base-Base interactions energy: -12.430 where: short stacking energy: -12.430 Base-Backbone interact. energy: -0.001 local terms energy: -26.407105 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.718 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -3.851 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: 2, replica: 7 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -39.664921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.664921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.664921 (E_RNA) where: Base-Base interactions energy: -11.527 where: short stacking energy: -11.527 Base-Backbone interact. energy: -0.000 local terms energy: -28.138107 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.998 flat angles P-C4'-P energy: -5.588 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: 3, replica: 2 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -33.370656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.370656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.370656 (E_RNA) where: Base-Base interactions energy: -8.509 where: short stacking energy: -8.509 Base-Backbone interact. energy: -0.049 local terms energy: -24.812538 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.511 flat angles P-C4'-P energy: -4.775 tors. eta vs tors. theta energy: 0.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -38.021010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.021010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.021010 (E_RNA) where: Base-Base interactions energy: -10.798 where: short stacking energy: -10.898 Base-Backbone interact. energy: -0.000 local terms energy: -27.222938 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -5.077 flat angles P-C4'-P energy: -4.976 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: 5, replica: 5 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -34.074580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.074580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.074580 (E_RNA) where: Base-Base interactions energy: -6.852 where: short stacking energy: -6.852 Base-Backbone interact. energy: -0.009 local terms energy: -27.213107 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.552 flat angles P-C4'-P energy: -3.966 tors. eta vs tors. theta energy: -4.312 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: 4 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -29.261671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.261671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.261671 (E_RNA) where: Base-Base interactions energy: -7.824 where: short stacking energy: -7.824 Base-Backbone interact. energy: -0.075 local terms energy: -21.363261 where: bonds (distance) C4'-P energy: -4.990 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -3.994 flat angles P-C4'-P energy: -4.608 tors. eta vs tors. theta energy: 0.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -32.402798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.402798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.402798 (E_RNA) where: Base-Base interactions energy: -8.435 where: short stacking energy: -8.435 Base-Backbone interact. energy: 0.302 local terms energy: -24.270093 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -4.825 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: 6 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -30.132628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.132628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.132628 (E_RNA) where: Base-Base interactions energy: -11.557 where: short stacking energy: -11.557 Base-Backbone interact. energy: -0.035 local terms energy: -18.540497 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -2.421 flat angles C4'-P-C4' energy: -4.916 flat angles P-C4'-P energy: -4.692 tors. eta vs tors. theta energy: -0.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -28.755942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.755942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.755942 (E_RNA) where: Base-Base interactions energy: -7.337 where: short stacking energy: -7.337 Base-Backbone interact. energy: -0.104 local terms energy: -21.314855 where: bonds (distance) C4'-P energy: -1.563 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -5.469 tors. eta vs tors. theta energy: -1.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -32.385515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.385515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.385515 (E_RNA) where: Base-Base interactions energy: -11.984 where: short stacking energy: -8.912 Base-Backbone interact. energy: -0.162 local terms energy: -20.239803 where: bonds (distance) C4'-P energy: -4.714 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -6.660 flat angles P-C4'-P energy: -2.214 tors. eta vs tors. theta energy: 0.854 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: 7 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -37.284167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.284167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.284167 (E_RNA) where: Base-Base interactions energy: -11.620 where: short stacking energy: -11.620 Base-Backbone interact. energy: -0.601 local terms energy: -25.063522 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -7.051 flat angles P-C4'-P energy: -4.429 tors. eta vs tors. theta energy: -0.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -39.085643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.085643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.085643 (E_RNA) where: Base-Base interactions energy: -9.949 where: short stacking energy: -9.949 Base-Backbone interact. energy: -0.003 local terms energy: -29.133069 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -7.304 flat angles P-C4'-P energy: -4.973 tors. eta vs tors. theta energy: -4.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -36.153023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.153023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.153023 (E_RNA) where: Base-Base interactions energy: -11.604 where: short stacking energy: -9.745 Base-Backbone interact. energy: 0.093 local terms energy: -24.641634 where: bonds (distance) C4'-P energy: -5.848 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.151 flat angles P-C4'-P energy: -4.632 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: 2 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -34.733082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.733082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.733082 (E_RNA) where: Base-Base interactions energy: -9.531 where: short stacking energy: -9.383 Base-Backbone interact. energy: 0.232 local terms energy: -25.434662 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -4.429 tors. eta vs tors. theta energy: -0.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -34.305221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.305221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.305221 (E_RNA) where: Base-Base interactions energy: -9.095 where: short stacking energy: -9.095 Base-Backbone interact. energy: -0.028 local terms energy: -25.181965 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -6.779 flat angles P-C4'-P energy: -5.386 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: 6, replica: 5 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -34.061275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.061275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.061275 (E_RNA) where: Base-Base interactions energy: -9.457 where: short stacking energy: -9.457 Base-Backbone interact. energy: -0.066 local terms energy: -24.538101 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.308 flat angles P-C4'-P energy: -5.726 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: 7, replica: 6 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -39.088926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.088926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.088926 (E_RNA) where: Base-Base interactions energy: -11.886 where: short stacking energy: -11.886 Base-Backbone interact. energy: -0.007 local terms energy: -27.196268 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.963 flat angles P-C4'-P energy: -3.862 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: 8, replica: 8 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -40.684409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.684409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.684409 (E_RNA) where: Base-Base interactions energy: -12.715 where: short stacking energy: -12.715 Base-Backbone interact. energy: -0.002 local terms energy: -27.967094 where: bonds (distance) C4'-P energy: -5.542 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -4.029 flat angles P-C4'-P energy: -5.337 tors. eta vs tors. theta energy: -5.727 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: 10 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -28.446173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.446173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.446173 (E_RNA) where: Base-Base interactions energy: -5.782 where: short stacking energy: -5.782 Base-Backbone interact. energy: -0.046 local terms energy: -22.617465 where: bonds (distance) C4'-P energy: -5.612 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -2.738 flat angles P-C4'-P energy: -4.919 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: 10, replica: 9 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -32.121915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.121915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.121915 (E_RNA) where: Base-Base interactions energy: -8.037 where: short stacking energy: -8.037 Base-Backbone interact. energy: -0.076 local terms energy: -24.008675 where: bonds (distance) C4'-P energy: -5.488 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: -4.329 tors. eta vs tors. theta energy: 0.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -41.194153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.194153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.194153 (E_RNA) where: Base-Base interactions energy: -11.287 where: short stacking energy: -11.287 Base-Backbone interact. energy: -0.000 local terms energy: -29.907259 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.170 flat angles P-C4'-P energy: -5.576 tors. eta vs tors. theta energy: -4.195 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: 55 Temperature: 0.950000 Total energy: -38.215493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.215493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.215493 (E_RNA) where: Base-Base interactions energy: -9.843 where: short stacking energy: -9.843 Base-Backbone interact. energy: -0.078 local terms energy: -28.293832 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.947 flat angles P-C4'-P energy: -5.518 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: 3, replica: 1 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -33.654758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.654758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.654758 (E_RNA) where: Base-Base interactions energy: -2.779 where: short stacking energy: -2.779 Base-Backbone interact. energy: -0.001 local terms energy: -30.874462 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.542 flat angles P-C4'-P energy: -4.482 tors. eta vs tors. theta energy: -4.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -32.864684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.864684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.864684 (E_RNA) where: Base-Base interactions energy: -8.857 where: short stacking energy: -8.857 Base-Backbone interact. energy: -0.000 local terms energy: -24.007747 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.951 flat angles P-C4'-P energy: -3.203 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: 5, replica: 4 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -33.123189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.123189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.123189 (E_RNA) where: Base-Base interactions energy: -7.245 where: short stacking energy: -7.245 Base-Backbone interact. energy: -0.038 local terms energy: -25.840221 where: bonds (distance) C4'-P energy: -4.971 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -6.087 flat angles P-C4'-P energy: -5.513 tors. eta vs tors. theta energy: -2.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -32.080537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.080537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.080537 (E_RNA) where: Base-Base interactions energy: -7.652 where: short stacking energy: -7.652 Base-Backbone interact. energy: -0.022 local terms energy: -24.407055 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.192 flat angles P-C4'-P energy: -5.130 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: 7, replica: 5 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -30.501135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.501135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.501135 (E_RNA) where: Base-Base interactions energy: -9.113 where: short stacking energy: -9.113 Base-Backbone interact. energy: -0.000 local terms energy: -21.387732 where: bonds (distance) C4'-P energy: -4.589 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.966 flat angles P-C4'-P energy: -2.282 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: 8, replica: 10 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -29.800186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.800186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.800186 (E_RNA) where: Base-Base interactions energy: -7.428 where: short stacking energy: -7.428 Base-Backbone interact. energy: -0.025 local terms energy: -22.346760 where: bonds (distance) C4'-P energy: -5.723 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -3.645 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: 9, replica: 8 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -29.388420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.388420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.388420 (E_RNA) where: Base-Base interactions energy: -6.576 where: short stacking energy: -6.576 Base-Backbone interact. energy: -0.001 local terms energy: -22.811442 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -3.090 flat angles P-C4'-P energy: -3.929 tors. eta vs tors. theta energy: -3.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -28.746324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.746324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.746324 (E_RNA) where: Base-Base interactions energy: -5.067 where: short stacking energy: -5.067 Base-Backbone interact. energy: -0.013 local terms energy: -23.665683 where: bonds (distance) C4'-P energy: -6.113 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -6.170 flat angles P-C4'-P energy: -2.987 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: 1, replica: 7 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -41.791448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.791448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.791448 (E_RNA) where: Base-Base interactions energy: -14.716 where: short stacking energy: -14.716 Base-Backbone interact. energy: -0.000 local terms energy: -27.075111 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.566 flat angles P-C4'-P energy: -2.554 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: 2, replica: 3 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -40.774223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.774223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.774223 (E_RNA) where: Base-Base interactions energy: -14.272 where: short stacking energy: -14.272 Base-Backbone interact. energy: -0.001 local terms energy: -26.501487 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.324 flat angles P-C4'-P energy: -3.808 tors. eta vs tors. theta energy: -4.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -37.056644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.056644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.056644 (E_RNA) where: Base-Base interactions energy: -12.826 where: short stacking energy: -12.826 Base-Backbone interact. energy: -0.003 local terms energy: -24.227168 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -5.816 flat angles P-C4'-P energy: -3.843 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: 4, replica: 1 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -34.102197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.102197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.102197 (E_RNA) where: Base-Base interactions energy: -10.274 where: short stacking energy: -9.676 Base-Backbone interact. energy: -0.266 local terms energy: -23.562416 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -4.944 flat angles P-C4'-P energy: -2.184 tors. eta vs tors. theta energy: -1.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -32.777379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.777379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.777379 (E_RNA) where: Base-Base interactions energy: -10.747 where: short stacking energy: -10.747 Base-Backbone interact. energy: -0.001 local terms energy: -22.029369 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -4.979 flat angles P-C4'-P energy: -3.937 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: 6, replica: 4 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -32.618400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.618400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.618400 (E_RNA) where: Base-Base interactions energy: -7.382 where: short stacking energy: -7.382 Base-Backbone interact. energy: -0.052 local terms energy: -25.183781 where: bonds (distance) C4'-P energy: -4.606 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -6.752 flat angles P-C4'-P energy: -3.618 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: 7, replica: 10 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -27.856648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.856648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.856648 (E_RNA) where: Base-Base interactions energy: -3.834 where: short stacking energy: -3.834 Base-Backbone interact. energy: -0.102 local terms energy: -23.920831 where: bonds (distance) C4'-P energy: -5.752 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.897 flat angles P-C4'-P energy: -4.756 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: 5 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -30.403465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.403465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.403465 (E_RNA) where: Base-Base interactions energy: -11.972 where: short stacking energy: -11.972 Base-Backbone interact. energy: -0.022 local terms energy: -18.409160 where: bonds (distance) C4'-P energy: -2.229 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.694 flat angles P-C4'-P energy: -2.460 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: 9, replica: 9 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -31.181167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.181167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.181167 (E_RNA) where: Base-Base interactions energy: -6.795 where: short stacking energy: -6.795 Base-Backbone interact. energy: -0.104 local terms energy: -24.282615 where: bonds (distance) C4'-P energy: -4.445 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.746 flat angles P-C4'-P energy: -2.796 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: 10, replica: 8 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -30.253827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.253827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.253827 (E_RNA) where: Base-Base interactions energy: -4.482 where: short stacking energy: -3.501 Base-Backbone interact. energy: -0.078 local terms energy: -25.694481 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.578 flat angles P-C4'-P energy: -4.664 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: 1, replica: 7 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -41.413834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.413834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.413834 (E_RNA) where: Base-Base interactions energy: -15.197 where: short stacking energy: -15.197 Base-Backbone interact. energy: -0.000 local terms energy: -26.216481 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -4.595 flat angles P-C4'-P energy: -3.473 tors. eta vs tors. theta energy: -4.617 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: 2, replica: 2 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -36.486422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.486422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.486422 (E_RNA) where: Base-Base interactions energy: -10.620 where: short stacking energy: -9.150 Base-Backbone interact. energy: -0.074 local terms energy: -25.792894 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.511 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: -0.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -35.142868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.142868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.142868 (E_RNA) where: Base-Base interactions energy: -10.291 where: short stacking energy: -10.291 Base-Backbone interact. energy: -0.000 local terms energy: -24.851571 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.317 flat angles P-C4'-P energy: -5.402 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: 4, replica: 6 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -35.153607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.153607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.153607 (E_RNA) where: Base-Base interactions energy: -10.828 where: short stacking energy: -10.828 Base-Backbone interact. energy: -0.006 local terms energy: -24.318803 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -6.465 flat angles P-C4'-P energy: -3.584 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: 5, replica: 1 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -32.170875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.170875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.170875 (E_RNA) where: Base-Base interactions energy: -10.484 where: short stacking energy: -10.484 Base-Backbone interact. energy: -0.000 local terms energy: -21.686479 where: bonds (distance) C4'-P energy: -4.234 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.986 flat angles P-C4'-P energy: -4.090 tors. eta vs tors. theta energy: 0.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -35.237462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.237462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.237462 (E_RNA) where: Base-Base interactions energy: -8.290 where: short stacking energy: -8.290 Base-Backbone interact. energy: -0.003 local terms energy: -26.944335 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -3.144 flat angles P-C4'-P energy: -4.827 tors. eta vs tors. theta energy: -5.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -30.344113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.344113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.344113 (E_RNA) where: Base-Base interactions energy: -8.352 where: short stacking energy: -8.352 Base-Backbone interact. energy: -0.200 local terms energy: -21.792592 where: bonds (distance) C4'-P energy: -7.226 bonds (distance) P-C4' energy: -5.842 flat angles C4'-P-C4' energy: -4.670 flat angles P-C4'-P energy: -4.649 tors. eta vs tors. theta energy: 0.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -30.615053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.615053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.615053 (E_RNA) where: Base-Base interactions energy: -9.247 where: short stacking energy: -7.550 Base-Backbone interact. energy: -0.087 local terms energy: -21.281147 where: bonds (distance) C4'-P energy: -3.587 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -4.774 flat angles P-C4'-P energy: -4.058 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: 9, replica: 5 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -33.363069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.363069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.363069 (E_RNA) where: Base-Base interactions energy: -10.130 where: short stacking energy: -10.430 Base-Backbone interact. energy: -0.000 local terms energy: -23.232654 where: bonds (distance) C4'-P energy: -5.595 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -5.561 flat angles P-C4'-P energy: -3.729 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: 10, replica: 8 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -26.564418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.564418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.564418 (E_RNA) where: Base-Base interactions energy: -2.726 where: short stacking energy: -2.726 Base-Backbone interact. energy: -0.497 local terms energy: -23.340865 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -7.249 flat angles P-C4'-P energy: -4.643 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: 7 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -36.512000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.512000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.512000 (E_RNA) where: Base-Base interactions energy: -11.075 where: short stacking energy: -11.075 Base-Backbone interact. energy: -0.099 local terms energy: -25.337794 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -3.208 tors. eta vs tors. theta energy: -1.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -36.273042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.273042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.273042 (E_RNA) where: Base-Base interactions energy: -11.015 where: short stacking energy: -11.015 Base-Backbone interact. energy: -0.164 local terms energy: -25.094349 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -5.004 flat angles C4'-P-C4' energy: -6.235 flat angles P-C4'-P energy: -5.011 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: 3, replica: 6 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -40.719992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.719992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.719992 (E_RNA) where: Base-Base interactions energy: -15.339 where: short stacking energy: -15.339 Base-Backbone interact. energy: -0.022 local terms energy: -25.359475 where: bonds (distance) C4'-P energy: -5.061 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -3.283 flat angles P-C4'-P energy: -4.515 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: 4, replica: 3 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -32.778547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.778547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.778547 (E_RNA) where: Base-Base interactions energy: -8.499 where: short stacking energy: -8.499 Base-Backbone interact. energy: -0.005 local terms energy: -24.274663 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -6.290 flat angles C4'-P-C4' energy: -6.651 flat angles P-C4'-P energy: -3.541 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: 5, replica: 10 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -32.521873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.521873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.521873 (E_RNA) where: Base-Base interactions energy: -7.885 where: short stacking energy: -7.678 Base-Backbone interact. energy: -0.144 local terms energy: -24.492888 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.888 flat angles P-C4'-P energy: -4.536 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: 6, replica: 1 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -30.833683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.833683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.833683 (E_RNA) where: Base-Base interactions energy: -6.498 where: short stacking energy: -6.498 Base-Backbone interact. energy: -0.205 local terms energy: -24.131049 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -5.335 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: 7, replica: 9 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -36.836244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.836244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.836244 (E_RNA) where: Base-Base interactions energy: -11.548 where: short stacking energy: -11.548 Base-Backbone interact. energy: -0.002 local terms energy: -25.286395 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -3.880 flat angles P-C4'-P energy: -4.731 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: 8, replica: 4 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -28.336356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.336356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.336356 (E_RNA) where: Base-Base interactions energy: -6.395 where: short stacking energy: -6.395 Base-Backbone interact. energy: -0.080 local terms energy: -21.860860 where: bonds (distance) C4'-P energy: -4.830 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -3.036 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: 8 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -28.253251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.253251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.253251 (E_RNA) where: Base-Base interactions energy: -6.663 where: short stacking energy: -6.663 Base-Backbone interact. energy: -0.096 local terms energy: -21.493797 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.306 flat angles P-C4'-P energy: -2.087 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: 10, replica: 5 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -29.286078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.286078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.286078 (E_RNA) where: Base-Base interactions energy: -5.950 where: short stacking energy: -5.950 Base-Backbone interact. energy: -0.002 local terms energy: -23.334445 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -4.192 flat angles P-C4'-P energy: -4.550 tors. eta vs tors. theta energy: -1.490 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: 7 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -39.894707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.894707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.894707 (E_RNA) where: Base-Base interactions energy: -9.206 where: short stacking energy: -9.206 Base-Backbone interact. energy: -0.008 local terms energy: -30.680145 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.463 flat angles P-C4'-P energy: -3.544 tors. eta vs tors. theta energy: -5.669 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: 6 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -38.147646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.147646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.147646 (E_RNA) where: Base-Base interactions energy: -12.765 where: short stacking energy: -12.283 Base-Backbone interact. energy: -0.100 local terms energy: -25.283075 where: bonds (distance) C4'-P energy: -6.072 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -3.684 tors. eta vs tors. theta energy: -3.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -36.690426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.690426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.690426 (E_RNA) where: Base-Base interactions energy: -10.609 where: short stacking energy: -10.609 Base-Backbone interact. energy: -0.015 local terms energy: -26.066862 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.170 flat angles P-C4'-P energy: -3.906 tors. eta vs tors. theta energy: -2.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -40.996071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.996071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.996071 (E_RNA) where: Base-Base interactions energy: -12.601 where: short stacking energy: -12.601 Base-Backbone interact. energy: -0.003 local terms energy: -28.391730 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.352 flat angles P-C4'-P energy: -4.499 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: 5, replica: 3 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -32.320501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.320501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.320501 (E_RNA) where: Base-Base interactions energy: -9.664 where: short stacking energy: -9.664 Base-Backbone interact. energy: -0.065 local terms energy: -22.591009 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -4.917 flat angles P-C4'-P energy: -2.707 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: 6, replica: 9 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -30.679080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.679080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.679080 (E_RNA) where: Base-Base interactions energy: -7.843 where: short stacking energy: -7.843 Base-Backbone interact. energy: -0.033 local terms energy: -22.803540 where: bonds (distance) C4'-P energy: -5.297 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.474 flat angles P-C4'-P energy: -3.673 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: 7, replica: 1 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -31.226731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.226731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.226731 (E_RNA) where: Base-Base interactions energy: -7.491 where: short stacking energy: -7.491 Base-Backbone interact. energy: -0.062 local terms energy: -23.674242 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -3.622 flat angles P-C4'-P energy: -5.716 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: 8, replica: 8 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -29.738313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.738313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.738313 (E_RNA) where: Base-Base interactions energy: -8.201 where: short stacking energy: -8.201 Base-Backbone interact. energy: -0.054 local terms energy: -21.483612 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -4.652 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -2.258 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: 9, replica: 4 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -27.686055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.686055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.686055 (E_RNA) where: Base-Base interactions energy: -8.383 where: short stacking energy: -8.383 Base-Backbone interact. energy: -0.107 local terms energy: -19.195864 where: bonds (distance) C4'-P energy: -6.159 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -5.688 flat angles P-C4'-P energy: -2.835 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: 10, replica: 5 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -28.874911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.874911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.874911 (E_RNA) where: Base-Base interactions energy: -5.648 where: short stacking energy: -5.648 Base-Backbone interact. energy: -0.006 local terms energy: -23.220095 where: bonds (distance) C4'-P energy: -5.571 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -4.461 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: 1, replica: 6 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -41.250470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.250470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.250470 (E_RNA) where: Base-Base interactions energy: -13.913 where: short stacking energy: -13.913 Base-Backbone interact. energy: -0.000 local terms energy: -27.337250 where: bonds (distance) C4'-P energy: -3.770 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -7.326 flat angles P-C4'-P energy: -4.534 tors. eta vs tors. theta energy: -4.623 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: 7 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -39.822950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.822950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.822950 (E_RNA) where: Base-Base interactions energy: -10.144 where: short stacking energy: -10.144 Base-Backbone interact. energy: -0.096 local terms energy: -29.582294 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.588 flat angles P-C4'-P energy: -5.477 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: 3, replica: 10 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -42.419125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.419125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.419125 (E_RNA) where: Base-Base interactions energy: -15.739 where: short stacking energy: -15.739 Base-Backbone interact. energy: -0.000 local terms energy: -26.679584 where: bonds (distance) C4'-P energy: -4.792 bonds (distance) P-C4' energy: -5.312 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -4.341 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: 60 Temperature: 1.050000 Total energy: -34.248054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.248054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.248054 (E_RNA) where: Base-Base interactions energy: -11.865 where: short stacking energy: -11.865 Base-Backbone interact. energy: -0.036 local terms energy: -22.347403 where: bonds (distance) C4'-P energy: -4.067 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -5.586 flat angles P-C4'-P energy: -5.215 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: 5, replica: 9 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -33.375065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.375065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.375065 (E_RNA) where: Base-Base interactions energy: -7.118 where: short stacking energy: -7.118 Base-Backbone interact. energy: -0.134 local terms energy: -26.122235 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.941 flat angles P-C4'-P energy: -3.124 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: 6, replica: 3 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -31.789876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.789876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.789876 (E_RNA) where: Base-Base interactions energy: -11.082 where: short stacking energy: -11.082 Base-Backbone interact. energy: -0.002 local terms energy: -20.705679 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -6.216 flat angles C4'-P-C4' energy: -2.805 flat angles P-C4'-P energy: -4.490 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: 7, replica: 8 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -29.818047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.818047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.818047 (E_RNA) where: Base-Base interactions energy: -6.493 where: short stacking energy: -6.493 Base-Backbone interact. energy: -0.000 local terms energy: -23.325046 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -3.839 flat angles C4'-P-C4' energy: -5.146 flat angles P-C4'-P energy: -4.036 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: 1 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -29.240244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.240244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.240244 (E_RNA) where: Base-Base interactions energy: -7.760 where: short stacking energy: -7.760 Base-Backbone interact. energy: -0.204 local terms energy: -21.276696 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -3.683 flat angles P-C4'-P energy: -4.438 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: 5 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -27.358269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.358269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.358269 (E_RNA) where: Base-Base interactions energy: -6.039 where: short stacking energy: -6.553 Base-Backbone interact. energy: -0.001 local terms energy: -21.318797 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -2.868 flat angles P-C4'-P energy: -4.914 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: 10, replica: 4 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -30.998285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.998285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.998285 (E_RNA) where: Base-Base interactions energy: -6.239 where: short stacking energy: -6.239 Base-Backbone interact. energy: -0.061 local terms energy: -24.698337 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -3.897 flat angles P-C4'-P energy: -5.704 tors. eta vs tors. theta energy: -2.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -41.193666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.193666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.193666 (E_RNA) where: Base-Base interactions energy: -16.479 where: short stacking energy: -16.479 Base-Backbone interact. energy: -0.000 local terms energy: -24.714229 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -7.117 flat angles P-C4'-P energy: -1.306 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: 2, replica: 10 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -42.067175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.067175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.067175 (E_RNA) where: Base-Base interactions energy: -13.859 where: short stacking energy: -13.859 Base-Backbone interact. energy: -0.005 local terms energy: -28.203144 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.962 flat angles P-C4'-P energy: -4.724 tors. eta vs tors. theta energy: -2.983 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: 7 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -41.709826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.709826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.709826 (E_RNA) where: Base-Base interactions energy: -12.773 where: short stacking energy: -12.773 Base-Backbone interact. energy: -0.001 local terms energy: -28.935908 where: bonds (distance) C4'-P energy: -5.451 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.161 flat angles P-C4'-P energy: -4.820 tors. eta vs tors. theta energy: -4.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -39.045813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.045813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.045813 (E_RNA) where: Base-Base interactions energy: -10.233 where: short stacking energy: -10.233 Base-Backbone interact. energy: -0.000 local terms energy: -28.812825 where: bonds (distance) C4'-P energy: -6.159 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -7.443 flat angles P-C4'-P energy: -5.625 tors. eta vs tors. theta energy: -3.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -30.405965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.405965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.405965 (E_RNA) where: Base-Base interactions energy: -10.246 where: short stacking energy: -10.246 Base-Backbone interact. energy: -0.009 local terms energy: -20.150935 where: bonds (distance) C4'-P energy: -5.193 bonds (distance) P-C4' energy: -6.332 flat angles C4'-P-C4' energy: -5.436 flat angles P-C4'-P energy: -3.048 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: 6, replica: 8 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -34.939948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.939948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.939948 (E_RNA) where: Base-Base interactions energy: -10.313 where: short stacking energy: -10.313 Base-Backbone interact. energy: -0.000 local terms energy: -24.626692 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.072 flat angles P-C4'-P energy: -3.362 tors. eta vs tors. theta energy: -0.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -32.394952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.394952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.394952 (E_RNA) where: Base-Base interactions energy: -9.593 where: short stacking energy: -9.593 Base-Backbone interact. energy: -0.001 local terms energy: -22.801133 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -6.526 flat angles P-C4'-P energy: -1.012 tors. eta vs tors. theta energy: -2.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -29.216636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.216636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.216636 (E_RNA) where: Base-Base interactions energy: -4.742 where: short stacking energy: -4.742 Base-Backbone interact. energy: -0.816 local terms energy: -23.658889 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.464 flat angles P-C4'-P energy: -4.158 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: 9, replica: 1 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -28.258198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.258198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.258198 (E_RNA) where: Base-Base interactions energy: -8.272 where: short stacking energy: -8.272 Base-Backbone interact. energy: -0.016 local terms energy: -19.970737 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -5.159 flat angles P-C4'-P energy: -3.841 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: 10, replica: 4 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -27.111679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.111679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.111679 (E_RNA) where: Base-Base interactions energy: -3.095 where: short stacking energy: -3.095 Base-Backbone interact. energy: -0.002 local terms energy: -24.015110 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.198 flat angles P-C4'-P energy: -5.513 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: 10 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -41.600816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.600816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.600816 (E_RNA) where: Base-Base interactions energy: -13.028 where: short stacking energy: -13.028 Base-Backbone interact. energy: -0.001 local terms energy: -28.571868 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.739 flat angles P-C4'-P energy: -2.869 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: 2, replica: 6 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -40.264134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.264134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.264134 (E_RNA) where: Base-Base interactions energy: -12.854 where: short stacking energy: -12.854 Base-Backbone interact. energy: -0.000 local terms energy: -27.409849 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -6.851 flat angles P-C4'-P energy: -3.197 tors. eta vs tors. theta energy: -4.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -36.352014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.352014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.352014 (E_RNA) where: Base-Base interactions energy: -9.771 where: short stacking energy: -9.771 Base-Backbone interact. energy: -0.003 local terms energy: -26.577816 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -3.814 tors. eta vs tors. theta energy: -2.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -38.132224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.132224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.132224 (E_RNA) where: Base-Base interactions energy: -10.220 where: short stacking energy: -10.220 Base-Backbone interact. energy: -0.069 local terms energy: -27.843822 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.511 flat angles P-C4'-P energy: -4.676 tors. eta vs tors. theta energy: -5.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -37.495685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.495685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.495685 (E_RNA) where: Base-Base interactions energy: -13.755 where: short stacking energy: -13.755 Base-Backbone interact. energy: -0.012 local terms energy: -23.728793 where: bonds (distance) C4'-P energy: -3.898 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.161 flat angles P-C4'-P energy: -2.713 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: 6, replica: 2 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -31.908522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.908522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.908522 (E_RNA) where: Base-Base interactions energy: -7.491 where: short stacking energy: -7.491 Base-Backbone interact. energy: -0.163 local terms energy: -24.255282 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -5.812 flat angles P-C4'-P energy: -4.954 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: 7, replica: 5 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -26.346159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.346159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.346159 (E_RNA) where: Base-Base interactions energy: -3.267 where: short stacking energy: -3.267 Base-Backbone interact. energy: -0.094 local terms energy: -22.985271 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.034 flat angles P-C4'-P energy: -3.884 tors. eta vs tors. theta energy: -0.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -30.185038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.185038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.185038 (E_RNA) where: Base-Base interactions energy: -8.928 where: short stacking energy: -8.928 Base-Backbone interact. energy: -0.000 local terms energy: -21.257050 where: bonds (distance) C4'-P energy: -4.821 bonds (distance) P-C4' energy: -5.513 flat angles C4'-P-C4' energy: -6.933 flat angles P-C4'-P energy: -0.386 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: 9, replica: 4 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -31.689240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.689240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.689240 (E_RNA) where: Base-Base interactions energy: -6.105 where: short stacking energy: -6.105 Base-Backbone interact. energy: -0.007 local terms energy: -25.577260 where: bonds (distance) C4'-P energy: -5.132 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.231 flat angles P-C4'-P energy: -5.599 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: 1 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -28.242998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.242998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.242998 (E_RNA) where: Base-Base interactions energy: -6.072 where: short stacking energy: -4.876 Base-Backbone interact. energy: -0.005 local terms energy: -22.166139 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -4.551 flat angles P-C4'-P energy: -4.241 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: 1, replica: 10 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -36.359271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.359271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.359271 (E_RNA) where: Base-Base interactions energy: -11.748 where: short stacking energy: -11.748 Base-Backbone interact. energy: -0.002 local terms energy: -24.609682 where: bonds (distance) C4'-P energy: -5.421 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.029 flat angles P-C4'-P energy: -4.107 tors. eta vs tors. theta energy: -1.514 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: 2, replica: 6 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -35.168366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.168366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.168366 (E_RNA) where: Base-Base interactions energy: -7.466 where: short stacking energy: -7.466 Base-Backbone interact. energy: -0.057 local terms energy: -27.645313 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -6.921 flat angles P-C4'-P energy: -4.356 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: 3, replica: 9 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -36.645436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.645436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.645436 (E_RNA) where: Base-Base interactions energy: -10.152 where: short stacking energy: -10.152 Base-Backbone interact. energy: -0.000 local terms energy: -26.493380 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -4.171 flat angles P-C4'-P energy: -4.926 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: 8 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -36.274169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.274169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.274169 (E_RNA) where: Base-Base interactions energy: -11.736 where: short stacking energy: -11.736 Base-Backbone interact. energy: -0.000 local terms energy: -24.537902 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -5.452 flat angles C4'-P-C4' energy: -4.532 flat angles P-C4'-P energy: -1.776 tors. eta vs tors. theta energy: -5.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -38.711836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.711836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.711836 (E_RNA) where: Base-Base interactions energy: -12.055 where: short stacking energy: -12.055 Base-Backbone interact. energy: -0.036 local terms energy: -26.620971 where: bonds (distance) C4'-P energy: -6.179 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.123 flat angles P-C4'-P energy: -2.901 tors. eta vs tors. theta energy: -4.328 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: 6, replica: 5 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -34.480945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.480945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.480945 (E_RNA) where: Base-Base interactions energy: -8.718 where: short stacking energy: -8.718 Base-Backbone interact. energy: -0.000 local terms energy: -25.763309 where: bonds (distance) C4'-P energy: -5.620 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.841 flat angles P-C4'-P energy: -4.069 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: 7, replica: 2 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -29.596774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.596774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.596774 (E_RNA) where: Base-Base interactions energy: -6.886 where: short stacking energy: -6.886 Base-Backbone interact. energy: -0.002 local terms energy: -22.709183 where: bonds (distance) C4'-P energy: -3.356 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -7.070 flat angles P-C4'-P energy: -3.724 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: 8, replica: 4 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -29.554222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.554222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.554222 (E_RNA) where: Base-Base interactions energy: -7.862 where: short stacking energy: -7.862 Base-Backbone interact. energy: -0.006 local terms energy: -21.686509 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -6.393 flat angles P-C4'-P energy: 0.054 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: 9, replica: 3 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -27.428644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.428644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.428644 (E_RNA) where: Base-Base interactions energy: -2.295 where: short stacking energy: -2.295 Base-Backbone interact. energy: -0.100 local terms energy: -25.033673 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.092 flat angles P-C4'-P energy: -5.198 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: 10, replica: 1 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -28.544911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.544911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.544911 (E_RNA) where: Base-Base interactions energy: -8.573 where: short stacking energy: -6.808 Base-Backbone interact. energy: -0.009 local terms energy: -19.962528 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -2.749 flat angles P-C4'-P energy: -4.409 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: 1, replica: 10 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -38.543193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.543193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.543193 (E_RNA) where: Base-Base interactions energy: -12.108 where: short stacking energy: -12.108 Base-Backbone interact. energy: -0.000 local terms energy: -26.435388 where: bonds (distance) C4'-P energy: -5.173 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.094 flat angles P-C4'-P energy: -5.123 tors. eta vs tors. theta energy: -1.483 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: 6 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -38.427826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.427826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.427826 (E_RNA) where: Base-Base interactions energy: -15.079 where: short stacking energy: -10.590 Base-Backbone interact. energy: -0.000 local terms energy: -23.348281 where: bonds (distance) C4'-P energy: -3.634 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.431 flat angles P-C4'-P energy: -4.628 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: 3, replica: 8 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -38.090970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.090970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.090970 (E_RNA) where: Base-Base interactions energy: -11.602 where: short stacking energy: -11.602 Base-Backbone interact. energy: -0.067 local terms energy: -26.421793 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -7.121 flat angles P-C4'-P energy: -4.072 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: 9 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -32.242375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.242375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.242375 (E_RNA) where: Base-Base interactions energy: -7.646 where: short stacking energy: -7.646 Base-Backbone interact. energy: -0.000 local terms energy: -24.596317 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.714 flat angles P-C4'-P energy: -5.874 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: 5 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -31.179768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.179768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.179768 (E_RNA) where: Base-Base interactions energy: -7.886 where: short stacking energy: -7.886 Base-Backbone interact. energy: -0.924 local terms energy: -22.370133 where: bonds (distance) C4'-P energy: -4.721 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.922 flat angles P-C4'-P energy: -5.537 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: 6, replica: 7 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -31.787470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.787470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.787470 (E_RNA) where: Base-Base interactions energy: -11.412 where: short stacking energy: -11.412 Base-Backbone interact. energy: -0.019 local terms energy: -20.356206 where: bonds (distance) C4'-P energy: -2.966 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.447 flat angles P-C4'-P energy: -0.909 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: 7, replica: 4 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -30.215690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.215690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.215690 (E_RNA) where: Base-Base interactions energy: -7.412 where: short stacking energy: -7.412 Base-Backbone interact. energy: -0.009 local terms energy: -22.794759 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.883 flat angles P-C4'-P energy: -2.170 tors. eta vs tors. theta energy: 0.012 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: 64 Temperature: 1.250000 Total energy: -29.978930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.978930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.978930 (E_RNA) where: Base-Base interactions energy: -5.556 where: short stacking energy: -5.556 Base-Backbone interact. energy: -0.089 local terms energy: -24.334573 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.589 flat angles P-C4'-P energy: -4.151 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: 9, replica: 1 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -29.819072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.819072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.819072 (E_RNA) where: Base-Base interactions energy: -6.134 where: short stacking energy: -6.134 Base-Backbone interact. energy: -0.000 local terms energy: -23.685372 where: bonds (distance) C4'-P energy: -4.180 bonds (distance) P-C4' energy: -4.191 flat angles C4'-P-C4' energy: -7.254 flat angles P-C4'-P energy: -4.524 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: 3 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -31.006690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.006690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.006690 (E_RNA) where: Base-Base interactions energy: -6.666 where: short stacking energy: -6.666 Base-Backbone interact. energy: -0.611 local terms energy: -23.729745 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.209 flat angles P-C4'-P energy: -3.762 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: 1, replica: 10 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -39.684780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.684780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.684780 (E_RNA) where: Base-Base interactions energy: -10.449 where: short stacking energy: -10.110 Base-Backbone interact. energy: -0.000 local terms energy: -29.235990 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -6.319 flat angles P-C4'-P energy: -4.865 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: 2, replica: 6 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -39.554456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.554456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.554456 (E_RNA) where: Base-Base interactions energy: -12.973 where: short stacking energy: -12.973 Base-Backbone interact. energy: -0.096 local terms energy: -26.485325 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.545 flat angles P-C4'-P energy: -4.250 tors. eta vs tors. theta energy: -1.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -38.075617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.075617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.075617 (E_RNA) where: Base-Base interactions energy: -11.076 where: short stacking energy: -11.076 Base-Backbone interact. energy: -0.083 local terms energy: -26.916790 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -6.479 flat angles P-C4'-P energy: -5.409 tors. eta vs tors. theta energy: -2.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -33.233167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.233167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.233167 (E_RNA) where: Base-Base interactions energy: -7.030 where: short stacking energy: -7.030 Base-Backbone interact. energy: -0.006 local terms energy: -26.196937 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -7.047 flat angles P-C4'-P energy: -3.464 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: 5, replica: 9 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -33.428059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.428059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.428059 (E_RNA) where: Base-Base interactions energy: -9.625 where: short stacking energy: -9.625 Base-Backbone interact. energy: -0.016 local terms energy: -23.786801 where: bonds (distance) C4'-P energy: -5.612 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -4.459 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: 6, replica: 4 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -34.528089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.528089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.528089 (E_RNA) where: Base-Base interactions energy: -6.842 where: short stacking energy: -6.842 Base-Backbone interact. energy: -0.001 local terms energy: -27.685546 where: bonds (distance) C4'-P energy: -6.638 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -3.891 flat angles P-C4'-P energy: -3.902 tors. eta vs tors. theta energy: -7.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -31.702522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.702522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.702522 (E_RNA) where: Base-Base interactions energy: -7.130 where: short stacking energy: -7.130 Base-Backbone interact. energy: -0.113 local terms energy: -24.459044 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -5.845 flat angles P-C4'-P energy: -4.020 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: 8, replica: 1 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -28.498000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.498000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.498000 (E_RNA) where: Base-Base interactions energy: -4.322 where: short stacking energy: -4.322 Base-Backbone interact. energy: -0.000 local terms energy: -24.175661 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.011 flat angles P-C4'-P energy: -4.302 tors. eta vs tors. theta energy: -0.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -34.802725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.802725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.802725 (E_RNA) where: Base-Base interactions energy: -7.139 where: short stacking energy: -7.139 Base-Backbone interact. energy: -0.000 local terms energy: -27.663712 where: bonds (distance) C4'-P energy: -5.404 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.423 flat angles P-C4'-P energy: -4.443 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: 10, replica: 3 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -29.927463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.927463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.927463 (E_RNA) where: Base-Base interactions energy: -6.832 where: short stacking energy: -6.832 Base-Backbone interact. energy: -0.000 local terms energy: -23.095353 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -3.839 flat angles P-C4'-P energy: -4.080 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: 1, replica: 6 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -38.031870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.031870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.031870 (E_RNA) where: Base-Base interactions energy: -10.277 where: short stacking energy: -10.277 Base-Backbone interact. energy: -0.014 local terms energy: -27.741201 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.029 flat angles C4'-P-C4' energy: -7.557 flat angles P-C4'-P energy: -4.330 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: 2, replica: 10 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -37.212239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.212239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.212239 (E_RNA) where: Base-Base interactions energy: -10.143 where: short stacking energy: -10.143 Base-Backbone interact. energy: -0.038 local terms energy: -27.031002 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.642 flat angles P-C4'-P energy: -4.609 tors. eta vs tors. theta energy: -2.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -38.795576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.795576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.795576 (E_RNA) where: Base-Base interactions energy: -11.725 where: short stacking energy: -11.725 Base-Backbone interact. energy: -0.000 local terms energy: -27.070597 where: bonds (distance) C4'-P energy: -5.547 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.606 flat angles P-C4'-P energy: -4.445 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: 4, replica: 8 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -32.864051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.864051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.864051 (E_RNA) where: Base-Base interactions energy: -6.884 where: short stacking energy: -6.884 Base-Backbone interact. energy: -0.014 local terms energy: -25.966127 where: bonds (distance) C4'-P energy: -5.119 bonds (distance) P-C4' energy: -6.134 flat angles C4'-P-C4' energy: -6.963 flat angles P-C4'-P energy: -5.159 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: 4 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -39.604581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.604581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.604581 (E_RNA) where: Base-Base interactions energy: -14.656 where: short stacking energy: -14.656 Base-Backbone interact. energy: -0.053 local terms energy: -24.895482 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.661 flat angles P-C4'-P energy: -2.214 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: 9 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -31.597937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.597937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.597937 (E_RNA) where: Base-Base interactions energy: -6.502 where: short stacking energy: -6.502 Base-Backbone interact. energy: -0.001 local terms energy: -25.094304 where: bonds (distance) C4'-P energy: -4.121 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -5.939 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: 7, replica: 1 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -32.532135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.532135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.532135 (E_RNA) where: Base-Base interactions energy: -6.826 where: short stacking energy: -6.826 Base-Backbone interact. energy: -0.001 local terms energy: -25.705293 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.392 flat angles P-C4'-P energy: -4.324 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: 7 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -29.304252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.304252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.304252 (E_RNA) where: Base-Base interactions energy: -11.445 where: short stacking energy: -11.445 Base-Backbone interact. energy: -0.059 local terms energy: -17.800197 where: bonds (distance) C4'-P energy: -5.725 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -1.876 flat angles P-C4'-P energy: -0.688 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: 3 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -27.877693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.877693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.877693 (E_RNA) where: Base-Base interactions energy: -6.889 where: short stacking energy: -6.889 Base-Backbone interact. energy: -0.003 local terms energy: -20.985761 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.276 flat angles P-C4'-P energy: -2.440 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: 10, replica: 2 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -31.678947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.678947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.678947 (E_RNA) where: Base-Base interactions energy: -14.115 where: short stacking energy: -14.115 Base-Backbone interact. energy: -0.084 local terms energy: -17.480245 where: bonds (distance) C4'-P energy: -2.615 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -4.886 flat angles P-C4'-P energy: -2.158 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: 1, replica: 6 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -44.278740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.278740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.278740 (E_RNA) where: Base-Base interactions energy: -15.512 where: short stacking energy: -15.512 Base-Backbone interact. energy: -0.000 local terms energy: -28.766514 where: bonds (distance) C4'-P energy: -3.794 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -7.313 flat angles P-C4'-P energy: -4.285 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: 10 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -36.109068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.109068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.109068 (E_RNA) where: Base-Base interactions energy: -10.553 where: short stacking energy: -10.553 Base-Backbone interact. energy: -0.070 local terms energy: -25.485881 where: bonds (distance) C4'-P energy: -4.758 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -6.659 flat angles P-C4'-P energy: -4.066 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: 5 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -38.726095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.726095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.726095 (E_RNA) where: Base-Base interactions energy: -13.067 where: short stacking energy: -13.067 Base-Backbone interact. energy: -0.102 local terms energy: -25.556618 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -6.853 flat angles P-C4'-P energy: -4.975 tors. eta vs tors. theta energy: -2.359 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: 8 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -34.526684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.526684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.526684 (E_RNA) where: Base-Base interactions energy: -11.861 where: short stacking energy: -11.861 Base-Backbone interact. energy: -0.193 local terms energy: -22.471810 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -6.371 flat angles P-C4'-P energy: -4.092 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: 5, replica: 4 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -38.399383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.399383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.399383 (E_RNA) where: Base-Base interactions energy: -13.906 where: short stacking energy: -13.906 Base-Backbone interact. energy: -0.000 local terms energy: -24.493573 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -3.067 flat angles P-C4'-P energy: -4.951 tors. eta vs tors. theta energy: -3.781 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: 1 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -37.050401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.050401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.050401 (E_RNA) where: Base-Base interactions energy: -10.449 where: short stacking energy: -10.449 Base-Backbone interact. energy: -0.000 local terms energy: -26.601559 where: bonds (distance) C4'-P energy: -2.822 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -4.212 tors. eta vs tors. theta energy: -6.183 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: 9 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -34.963105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.963105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.963105 (E_RNA) where: Base-Base interactions energy: -11.053 where: short stacking energy: -11.053 Base-Backbone interact. energy: -0.005 local terms energy: -23.904819 where: bonds (distance) C4'-P energy: -6.366 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -4.351 flat angles P-C4'-P energy: -4.792 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: 8, replica: 3 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -30.920754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.920754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.920754 (E_RNA) where: Base-Base interactions energy: -7.912 where: short stacking energy: -7.912 Base-Backbone interact. energy: -0.000 local terms energy: -23.009157 where: bonds (distance) C4'-P energy: -3.757 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -5.755 flat angles P-C4'-P energy: -5.527 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: 9, replica: 7 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -30.326022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.326022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.326022 (E_RNA) where: Base-Base interactions energy: -7.901 where: short stacking energy: -7.901 Base-Backbone interact. energy: -0.002 local terms energy: -22.423418 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -5.176 flat angles P-C4'-P energy: -4.731 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: 10, replica: 2 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -27.503323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.503323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.503323 (E_RNA) where: Base-Base interactions energy: -2.811 where: short stacking energy: -2.811 Base-Backbone interact. energy: -0.000 local terms energy: -24.692792 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -6.300 flat angles P-C4'-P energy: -4.735 tors. eta vs tors. theta energy: -2.245 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: 6 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -35.185920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.185920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.185920 (E_RNA) where: Base-Base interactions energy: -11.069 where: short stacking energy: -11.069 Base-Backbone interact. energy: -0.002 local terms energy: -24.114346 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.822 flat angles P-C4'-P energy: -3.421 tors. eta vs tors. theta energy: -3.031 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: 10 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -36.595027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.595027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.595027 (E_RNA) where: Base-Base interactions energy: -7.988 where: short stacking energy: -7.988 Base-Backbone interact. energy: -0.000 local terms energy: -28.606703 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -6.440 flat angles P-C4'-P energy: -2.606 tors. eta vs tors. theta energy: -5.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -32.991998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.991998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.991998 (E_RNA) where: Base-Base interactions energy: -11.743 where: short stacking energy: -11.743 Base-Backbone interact. energy: -0.144 local terms energy: -21.104489 where: bonds (distance) C4'-P energy: -5.085 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.943 flat angles P-C4'-P energy: -2.302 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: 5 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -38.452775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.452775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.452775 (E_RNA) where: Base-Base interactions energy: -10.867 where: short stacking energy: -10.086 Base-Backbone interact. energy: -0.017 local terms energy: -27.568995 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.806 flat angles C4'-P-C4' energy: -5.748 flat angles P-C4'-P energy: -4.722 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: 1 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -32.370797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.370797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.370797 (E_RNA) where: Base-Base interactions energy: -11.284 where: short stacking energy: -11.284 Base-Backbone interact. energy: -0.001 local terms energy: -21.085696 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -4.129 flat angles P-C4'-P energy: -4.353 tors. eta vs tors. theta energy: 0.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -33.882374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.882374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.882374 (E_RNA) where: Base-Base interactions energy: -9.291 where: short stacking energy: -9.291 Base-Backbone interact. energy: -0.255 local terms energy: -24.336545 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.198 flat angles P-C4'-P energy: -4.754 tors. eta vs tors. theta energy: -1.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -30.604629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.604629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.604629 (E_RNA) where: Base-Base interactions energy: -5.548 where: short stacking energy: -5.548 Base-Backbone interact. energy: -0.000 local terms energy: -25.056721 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -5.981 flat angles P-C4'-P energy: -3.735 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: 8, replica: 9 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -29.550653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.550653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.550653 (E_RNA) where: Base-Base interactions energy: -7.035 where: short stacking energy: -7.035 Base-Backbone interact. energy: -0.003 local terms energy: -22.512532 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.342 flat angles P-C4'-P energy: -2.663 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: 9, replica: 2 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -31.307327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.307327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.307327 (E_RNA) where: Base-Base interactions energy: -7.653 where: short stacking energy: -7.653 Base-Backbone interact. energy: -0.000 local terms energy: -23.653765 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -1.738 flat angles P-C4'-P energy: -3.692 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: 10, replica: 7 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -26.646945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.646945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.646945 (E_RNA) where: Base-Base interactions energy: -6.393 where: short stacking energy: -6.393 Base-Backbone interact. energy: -0.001 local terms energy: -20.253662 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -6.622 flat angles P-C4'-P energy: -2.284 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: 1, replica: 6 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -40.425273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.425273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.425273 (E_RNA) where: Base-Base interactions energy: -14.115 where: short stacking energy: -14.115 Base-Backbone interact. energy: -0.009 local terms energy: -26.301781 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.996 flat angles P-C4'-P energy: -5.948 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: 2, replica: 8 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -37.646069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.646069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.646069 (E_RNA) where: Base-Base interactions energy: -11.863 where: short stacking energy: -11.863 Base-Backbone interact. energy: -0.001 local terms energy: -25.782145 where: bonds (distance) C4'-P energy: -6.647 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -6.756 flat angles P-C4'-P energy: -4.819 tors. eta vs tors. theta energy: -0.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -40.632311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.632311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.632311 (E_RNA) where: Base-Base interactions energy: -13.107 where: short stacking energy: -13.107 Base-Backbone interact. energy: -0.005 local terms energy: -27.520533 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.652 flat angles P-C4'-P energy: -4.555 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: 4, replica: 1 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -39.020317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.020317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.020317 (E_RNA) where: Base-Base interactions energy: -14.062 where: short stacking energy: -14.062 Base-Backbone interact. energy: -0.001 local terms energy: -24.957811 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -2.656 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: 5, replica: 5 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -34.549481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.549481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.549481 (E_RNA) where: Base-Base interactions energy: -10.530 where: short stacking energy: -10.530 Base-Backbone interact. energy: -0.002 local terms energy: -24.017273 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.823 flat angles C4'-P-C4' energy: -5.176 flat angles P-C4'-P energy: -3.680 tors. eta vs tors. theta energy: -1.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -32.076668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.076668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.076668 (E_RNA) where: Base-Base interactions energy: -6.579 where: short stacking energy: -6.579 Base-Backbone interact. energy: -0.028 local terms energy: -25.470303 where: bonds (distance) C4'-P energy: -7.433 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.547 flat angles P-C4'-P energy: -4.448 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: 4 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -32.961215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.961215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.961215 (E_RNA) where: Base-Base interactions energy: -9.443 where: short stacking energy: -9.443 Base-Backbone interact. energy: -0.004 local terms energy: -23.514320 where: bonds (distance) C4'-P energy: -4.224 bonds (distance) P-C4' energy: -7.246 flat angles C4'-P-C4' energy: -4.703 flat angles P-C4'-P energy: -5.123 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: 2 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -27.093077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.093077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.093077 (E_RNA) where: Base-Base interactions energy: -7.009 where: short stacking energy: -7.009 Base-Backbone interact. energy: -0.090 local terms energy: -19.993351 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -5.959 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -3.878 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: 9, replica: 9 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -29.444947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.444947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.444947 (E_RNA) where: Base-Base interactions energy: -5.751 where: short stacking energy: -5.751 Base-Backbone interact. energy: -0.140 local terms energy: -23.553900 where: bonds (distance) C4'-P energy: -4.544 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -5.702 flat angles P-C4'-P energy: -4.424 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: 10, replica: 7 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -29.266177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.266177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.266177 (E_RNA) where: Base-Base interactions energy: -6.659 where: short stacking energy: -6.659 Base-Backbone interact. energy: -1.158 local terms energy: -21.449267 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.496 flat angles P-C4'-P energy: -2.853 tors. eta vs tors. theta energy: -1.502 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: 1, replica: 8 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -43.216979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.216979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.216979 (E_RNA) where: Base-Base interactions energy: -14.291 where: short stacking energy: -14.175 Base-Backbone interact. energy: -0.002 local terms energy: -28.924646 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -4.123 tors. eta vs tors. theta energy: -3.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -36.865475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.865475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.865475 (E_RNA) where: Base-Base interactions energy: -10.711 where: short stacking energy: -10.711 Base-Backbone interact. energy: -0.017 local terms energy: -26.137596 where: bonds (distance) C4'-P energy: -4.784 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -6.705 flat angles P-C4'-P energy: -4.481 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: 1 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -40.734898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.734898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.734898 (E_RNA) where: Base-Base interactions energy: -11.489 where: short stacking energy: -11.489 Base-Backbone interact. energy: -0.000 local terms energy: -29.245847 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.731 flat angles P-C4'-P energy: -4.995 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: 4, replica: 10 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -32.528362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.528362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.528362 (E_RNA) where: Base-Base interactions energy: -7.609 where: short stacking energy: -7.609 Base-Backbone interact. energy: -0.006 local terms energy: -24.912600 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.464 flat angles P-C4'-P energy: -3.460 tors. eta vs tors. theta energy: 0.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -33.685769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.685769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.685769 (E_RNA) where: Base-Base interactions energy: -8.306 where: short stacking energy: -8.306 Base-Backbone interact. energy: -0.000 local terms energy: -25.379518 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -6.748 flat angles P-C4'-P energy: -5.123 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: 6, replica: 5 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -29.798801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.798801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.798801 (E_RNA) where: Base-Base interactions energy: -6.788 where: short stacking energy: -7.006 Base-Backbone interact. energy: -0.150 local terms energy: -22.860876 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -4.535 flat angles C4'-P-C4' energy: -6.531 flat angles P-C4'-P energy: -3.004 tors. eta vs tors. theta energy: -2.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -33.955483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.955483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.955483 (E_RNA) where: Base-Base interactions energy: -12.062 where: short stacking energy: -12.062 Base-Backbone interact. energy: -0.042 local terms energy: -21.851554 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -5.968 flat angles P-C4'-P energy: -5.116 tors. eta vs tors. theta energy: -0.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -30.321505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.321505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.321505 (E_RNA) where: Base-Base interactions energy: -7.425 where: short stacking energy: -7.425 Base-Backbone interact. energy: -0.000 local terms energy: -22.896738 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -5.480 flat angles C4'-P-C4' energy: -5.791 flat angles P-C4'-P energy: -2.755 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: 9, replica: 7 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -33.850624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.850624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.850624 (E_RNA) where: Base-Base interactions energy: -13.845 where: short stacking energy: -13.845 Base-Backbone interact. energy: -0.014 local terms energy: -19.991863 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.443 flat angles C4'-P-C4' energy: -5.269 flat angles P-C4'-P energy: -3.471 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: 10, replica: 9 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -28.732160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.732160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.732160 (E_RNA) where: Base-Base interactions energy: -7.508 where: short stacking energy: -7.508 Base-Backbone interact. energy: -0.006 local terms energy: -21.218596 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -4.890 flat angles C4'-P-C4' energy: -5.020 flat angles P-C4'-P energy: -5.594 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: 1, replica: 8 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -36.360160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.360160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.360160 (E_RNA) where: Base-Base interactions energy: -7.095 where: short stacking energy: -7.095 Base-Backbone interact. energy: -0.001 local terms energy: -29.263951 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -7.053 flat angles P-C4'-P energy: -5.745 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: 2, replica: 1 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -39.227566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.227566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.227566 (E_RNA) where: Base-Base interactions energy: -11.125 where: short stacking energy: -11.125 Base-Backbone interact. energy: -0.000 local terms energy: -28.101781 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -6.213 flat angles P-C4'-P energy: -5.151 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: 3, replica: 6 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -33.537989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.537989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.537989 (E_RNA) where: Base-Base interactions energy: -9.466 where: short stacking energy: -9.466 Base-Backbone interact. energy: -0.208 local terms energy: -23.863774 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.905 flat angles P-C4'-P energy: -3.604 tors. eta vs tors. theta energy: 0.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -40.811529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.811529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.811529 (E_RNA) where: Base-Base interactions energy: -13.120 where: short stacking energy: -13.120 Base-Backbone interact. energy: -0.062 local terms energy: -27.629606 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.495 flat angles P-C4'-P energy: -2.454 tors. eta vs tors. theta energy: -4.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -33.656396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.656396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.656396 (E_RNA) where: Base-Base interactions energy: -10.607 where: short stacking energy: -10.607 Base-Backbone interact. energy: -0.003 local terms energy: -23.045973 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -5.029 flat angles C4'-P-C4' energy: -6.633 flat angles P-C4'-P energy: -6.073 tors. eta vs tors. theta energy: 0.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -33.570204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.570204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.570204 (E_RNA) where: Base-Base interactions energy: -7.139 where: short stacking energy: -7.139 Base-Backbone interact. energy: -0.009 local terms energy: -26.422244 where: bonds (distance) C4'-P energy: -5.703 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.929 flat angles P-C4'-P energy: -3.640 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: 7, replica: 5 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -31.484932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.484932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.484932 (E_RNA) where: Base-Base interactions energy: -9.117 where: short stacking energy: -9.117 Base-Backbone interact. energy: -0.000 local terms energy: -22.367835 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -4.512 flat angles P-C4'-P energy: -3.151 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: 8, replica: 7 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -31.874846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.874846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.874846 (E_RNA) where: Base-Base interactions energy: -6.758 where: short stacking energy: -6.758 Base-Backbone interact. energy: -0.011 local terms energy: -25.105336 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -5.133 flat angles P-C4'-P energy: -4.783 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: 9, replica: 4 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -32.406517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.406517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.406517 (E_RNA) where: Base-Base interactions energy: -12.385 where: short stacking energy: -6.614 Base-Backbone interact. energy: -0.107 local terms energy: -19.915115 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.602 flat angles P-C4'-P energy: -0.328 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: 10, replica: 9 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -27.881836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.881836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.881836 (E_RNA) where: Base-Base interactions energy: -7.056 where: short stacking energy: -7.056 Base-Backbone interact. energy: -0.053 local terms energy: -20.772341 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -3.396 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: 1, replica: 1 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -45.663768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.663768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.663768 (E_RNA) where: Base-Base interactions energy: -14.999 where: short stacking energy: -14.999 Base-Backbone interact. energy: -0.000 local terms energy: -30.664737 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.796 flat angles P-C4'-P energy: -4.451 tors. eta vs tors. theta energy: -5.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -41.403086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.403086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.403086 (E_RNA) where: Base-Base interactions energy: -11.698 where: short stacking energy: -11.698 Base-Backbone interact. energy: -0.011 local terms energy: -29.693742 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -6.662 flat angles P-C4'-P energy: -5.519 tors. eta vs tors. theta energy: -4.123 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: 3 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -40.464536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.464536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.464536 (E_RNA) where: Base-Base interactions energy: -14.154 where: short stacking energy: -14.154 Base-Backbone interact. energy: -0.000 local terms energy: -26.310150 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -3.805 flat angles P-C4'-P energy: -4.669 tors. eta vs tors. theta energy: -4.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -36.193736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.193736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.193736 (E_RNA) where: Base-Base interactions energy: -10.831 where: short stacking energy: -10.831 Base-Backbone interact. energy: -0.000 local terms energy: -25.362036 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -5.738 flat angles C4'-P-C4' energy: -6.363 flat angles P-C4'-P energy: -5.856 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: 5, replica: 2 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -34.765529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.765529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.765529 (E_RNA) where: Base-Base interactions energy: -5.685 where: short stacking energy: -5.685 Base-Backbone interact. energy: -0.001 local terms energy: -29.080058 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.326 flat angles P-C4'-P energy: -5.929 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: 6, replica: 10 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -31.167140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.167140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.167140 (E_RNA) where: Base-Base interactions energy: -8.423 where: short stacking energy: -8.423 Base-Backbone interact. energy: -0.024 local terms energy: -22.720034 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -3.284 flat angles C4'-P-C4' energy: -6.176 flat angles P-C4'-P energy: -4.142 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: 7, replica: 7 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -32.843832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.843832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.843832 (E_RNA) where: Base-Base interactions energy: -10.375 where: short stacking energy: -10.375 Base-Backbone interact. energy: -0.118 local terms energy: -22.350431 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.995 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -3.296 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: 8, replica: 5 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -26.641739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.641739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.641739 (E_RNA) where: Base-Base interactions energy: -4.364 where: short stacking energy: -3.500 Base-Backbone interact. energy: -0.083 local terms energy: -22.194283 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.615 flat angles P-C4'-P energy: -4.125 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: 9, replica: 9 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -29.462031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.462031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.462031 (E_RNA) where: Base-Base interactions energy: -10.008 where: short stacking energy: -5.174 Base-Backbone interact. energy: -0.011 local terms energy: -19.442311 where: bonds (distance) C4'-P energy: -6.353 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -3.586 flat angles P-C4'-P energy: -4.045 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: 10, replica: 4 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -28.724239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.724239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.724239 (E_RNA) where: Base-Base interactions energy: -4.956 where: short stacking energy: -4.956 Base-Backbone interact. energy: -0.000 local terms energy: -23.768565 where: bonds (distance) C4'-P energy: -5.061 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.966 flat angles P-C4'-P energy: -4.067 tors. eta vs tors. theta energy: -1.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -40.205323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.205323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.205323 (E_RNA) where: Base-Base interactions energy: -13.327 where: short stacking energy: -13.327 Base-Backbone interact. energy: -0.003 local terms energy: -26.875375 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -7.386 flat angles P-C4'-P energy: -5.274 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: 3 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -37.082603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.082603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.082603 (E_RNA) where: Base-Base interactions energy: -10.392 where: short stacking energy: -10.392 Base-Backbone interact. energy: -0.114 local terms energy: -26.576523 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.062 flat angles P-C4'-P energy: -3.096 tors. eta vs tors. theta energy: -5.365 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: 8 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -39.441968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.441968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.441968 (E_RNA) where: Base-Base interactions energy: -13.031 where: short stacking energy: -13.031 Base-Backbone interact. energy: -0.003 local terms energy: -26.407341 where: bonds (distance) C4'-P energy: -5.894 bonds (distance) P-C4' energy: -5.691 flat angles C4'-P-C4' energy: -6.620 flat angles P-C4'-P energy: -4.693 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: 4, replica: 2 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -35.248597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.248597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.248597 (E_RNA) where: Base-Base interactions energy: -7.034 where: short stacking energy: -7.034 Base-Backbone interact. energy: -0.000 local terms energy: -28.214516 where: bonds (distance) C4'-P energy: -5.587 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.702 flat angles P-C4'-P energy: -5.750 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: 6 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -30.958916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.958916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.958916 (E_RNA) where: Base-Base interactions energy: -8.391 where: short stacking energy: -7.472 Base-Backbone interact. energy: -0.004 local terms energy: -22.563917 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -5.738 flat angles C4'-P-C4' energy: -6.628 flat angles P-C4'-P energy: -4.552 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: 6, replica: 7 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -28.631323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.631323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.631323 (E_RNA) where: Base-Base interactions energy: -5.977 where: short stacking energy: -5.977 Base-Backbone interact. energy: -0.263 local terms energy: -22.391539 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -7.044 flat angles P-C4'-P energy: -3.664 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: 7, replica: 10 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -34.282648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.282648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.282648 (E_RNA) where: Base-Base interactions energy: -9.907 where: short stacking energy: -9.907 Base-Backbone interact. energy: -0.013 local terms energy: -24.362117 where: bonds (distance) C4'-P energy: -4.829 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.988 flat angles P-C4'-P energy: -4.285 tors. eta vs tors. theta energy: -0.225 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: 9 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -34.836397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.836397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.836397 (E_RNA) where: Base-Base interactions energy: -9.381 where: short stacking energy: -9.381 Base-Backbone interact. energy: -0.001 local terms energy: -25.453949 where: bonds (distance) C4'-P energy: -5.193 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -5.178 flat angles P-C4'-P energy: -4.926 tors. eta vs tors. theta energy: -3.076 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: 5 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -30.706090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.706090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.706090 (E_RNA) where: Base-Base interactions energy: -9.216 where: short stacking energy: -9.216 Base-Backbone interact. energy: -0.028 local terms energy: -21.461854 where: bonds (distance) C4'-P energy: -4.954 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -3.140 flat angles P-C4'-P energy: -4.857 tors. eta vs tors. theta energy: -0.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -29.586589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.586589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.586589 (E_RNA) where: Base-Base interactions energy: -3.283 where: short stacking energy: -2.760 Base-Backbone interact. energy: -0.001 local terms energy: -26.302885 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.330 flat angles P-C4'-P energy: -3.912 tors. eta vs tors. theta energy: -2.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -38.855090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.855090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.855090 (E_RNA) where: Base-Base interactions energy: -14.153 where: short stacking energy: -14.153 Base-Backbone interact. energy: -0.028 local terms energy: -24.674347 where: bonds (distance) C4'-P energy: -5.297 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -6.492 flat angles P-C4'-P energy: -3.328 tors. eta vs tors. theta energy: -4.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -40.598772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.598772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.598772 (E_RNA) where: Base-Base interactions energy: -12.923 where: short stacking energy: -12.923 Base-Backbone interact. energy: -0.000 local terms energy: -27.675139 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.506 flat angles P-C4'-P energy: -3.236 tors. eta vs tors. theta energy: -6.370 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: 3, replica: 2 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -34.937436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.937436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.937436 (E_RNA) where: Base-Base interactions energy: -9.906 where: short stacking energy: -9.906 Base-Backbone interact. energy: -0.000 local terms energy: -25.031029 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.542 flat angles P-C4'-P energy: -2.798 tors. eta vs tors. theta energy: -3.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -34.976085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.976085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.976085 (E_RNA) where: Base-Base interactions energy: -11.980 where: short stacking energy: -11.980 Base-Backbone interact. energy: -0.099 local terms energy: -22.897551 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -3.093 flat angles P-C4'-P energy: -1.792 tors. eta vs tors. theta energy: -3.939 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: 7 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -36.836823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.836823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.836823 (E_RNA) where: Base-Base interactions energy: -11.264 where: short stacking energy: -11.264 Base-Backbone interact. energy: -0.000 local terms energy: -25.572541 where: bonds (distance) C4'-P energy: -6.332 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -6.728 flat angles P-C4'-P energy: -4.452 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: 6, replica: 6 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -31.584720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.584720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.584720 (E_RNA) where: Base-Base interactions energy: -8.515 where: short stacking energy: -8.515 Base-Backbone interact. energy: 0.015 local terms energy: -23.084608 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.055 flat angles P-C4'-P energy: -4.442 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: 7, replica: 9 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -30.898975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.898975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.898975 (E_RNA) where: Base-Base interactions energy: -6.617 where: short stacking energy: -6.617 Base-Backbone interact. energy: -0.000 local terms energy: -24.282009 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -3.331 flat angles P-C4'-P energy: -2.414 tors. eta vs tors. theta energy: -3.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -30.014727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.014727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.014727 (E_RNA) where: Base-Base interactions energy: -6.410 where: short stacking energy: -6.410 Base-Backbone interact. energy: -0.013 local terms energy: -23.591732 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.867 flat angles P-C4'-P energy: -5.357 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: 9, replica: 4 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -31.374977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.374977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.374977 (E_RNA) where: Base-Base interactions energy: -7.595 where: short stacking energy: -7.595 Base-Backbone interact. energy: -0.056 local terms energy: -23.724306 where: bonds (distance) C4'-P energy: -5.227 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -4.593 flat angles P-C4'-P energy: -4.610 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: 10, replica: 5 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -34.270651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.270651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.270651 (E_RNA) where: Base-Base interactions energy: -10.637 where: short stacking energy: -10.240 Base-Backbone interact. energy: -0.011 local terms energy: -23.622596 where: bonds (distance) C4'-P energy: -4.464 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.562 flat angles P-C4'-P energy: -3.800 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: 1, replica: 3 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -35.116897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.116897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.116897 (E_RNA) where: Base-Base interactions energy: -8.949 where: short stacking energy: -9.006 Base-Backbone interact. energy: -0.876 local terms energy: -25.291981 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -5.121 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -4.845 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: 2 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -36.616103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.616103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.616103 (E_RNA) where: Base-Base interactions energy: -11.515 where: short stacking energy: -11.515 Base-Backbone interact. energy: -0.008 local terms energy: -25.093159 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.718 flat angles P-C4'-P energy: -4.934 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: 3, replica: 1 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -35.225303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.225303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.225303 (E_RNA) where: Base-Base interactions energy: -10.868 where: short stacking energy: -10.868 Base-Backbone interact. energy: -0.019 local terms energy: -24.338691 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.926 flat angles P-C4'-P energy: -3.864 tors. eta vs tors. theta energy: -0.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -31.591615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.591615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.591615 (E_RNA) where: Base-Base interactions energy: -9.001 where: short stacking energy: -9.001 Base-Backbone interact. energy: -0.001 local terms energy: -22.589777 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -5.284 flat angles C4'-P-C4' energy: -4.457 flat angles P-C4'-P energy: -5.571 tors. eta vs tors. theta energy: -0.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -36.556846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.556846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.556846 (E_RNA) where: Base-Base interactions energy: -9.124 where: short stacking energy: -9.124 Base-Backbone interact. energy: -0.086 local terms energy: -27.346976 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.358 flat angles P-C4'-P energy: -2.799 tors. eta vs tors. theta energy: -3.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -30.745489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.745489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.745489 (E_RNA) where: Base-Base interactions energy: -7.927 where: short stacking energy: -7.927 Base-Backbone interact. energy: -0.119 local terms energy: -22.698807 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.218 flat angles P-C4'-P energy: -4.060 tors. eta vs tors. theta energy: 1.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -32.912813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.912813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.912813 (E_RNA) where: Base-Base interactions energy: -5.529 where: short stacking energy: -5.529 Base-Backbone interact. energy: -0.028 local terms energy: -27.355617 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -7.011 flat angles P-C4'-P energy: -4.449 tors. eta vs tors. theta energy: -4.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -31.826120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.826120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.826120 (E_RNA) where: Base-Base interactions energy: -7.842 where: short stacking energy: -7.842 Base-Backbone interact. energy: 0.535 local terms energy: -24.519275 where: bonds (distance) C4'-P energy: -5.230 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -4.043 flat angles P-C4'-P energy: -5.915 tors. eta vs tors. theta energy: -1.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -31.715266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.715266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.715266 (E_RNA) where: Base-Base interactions energy: -7.309 where: short stacking energy: -7.309 Base-Backbone interact. energy: -0.001 local terms energy: -24.405100 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -3.176 flat angles P-C4'-P energy: -4.250 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: 10, replica: 5 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -28.571542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.571542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.571542 (E_RNA) where: Base-Base interactions energy: -8.088 where: short stacking energy: -8.088 Base-Backbone interact. energy: -0.152 local terms energy: -20.331783 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -5.647 flat angles P-C4'-P energy: -2.231 tors. eta vs tors. theta energy: 0.464 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: 2 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -39.749757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.749757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.749757 (E_RNA) where: Base-Base interactions energy: -12.928 where: short stacking energy: -12.928 Base-Backbone interact. energy: -0.034 local terms energy: -26.787436 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -5.861 flat angles P-C4'-P energy: -5.563 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: 2, replica: 3 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -38.653088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.653088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.653088 (E_RNA) where: Base-Base interactions energy: -11.366 where: short stacking energy: -11.366 Base-Backbone interact. energy: -0.617 local terms energy: -26.670104 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.307 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: 7 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -40.701375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.701375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.701375 (E_RNA) where: Base-Base interactions energy: -13.946 where: short stacking energy: -13.946 Base-Backbone interact. energy: -0.000 local terms energy: -26.755093 where: bonds (distance) C4'-P energy: -4.723 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -5.392 flat angles P-C4'-P energy: -3.645 tors. eta vs tors. theta energy: -6.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -38.295753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.295753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.295753 (E_RNA) where: Base-Base interactions energy: -11.239 where: short stacking energy: -11.239 Base-Backbone interact. energy: -0.001 local terms energy: -27.055680 where: bonds (distance) C4'-P energy: -5.777 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.650 flat angles P-C4'-P energy: -3.269 tors. eta vs tors. theta energy: -4.505 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: 6 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -31.261732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.261732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.261732 (E_RNA) where: Base-Base interactions energy: -9.759 where: short stacking energy: -7.518 Base-Backbone interact. energy: -0.021 local terms energy: -21.482175 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -6.375 flat angles P-C4'-P energy: -1.134 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: 6, replica: 8 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -35.587500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.587500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.587500 (E_RNA) where: Base-Base interactions energy: -7.896 where: short stacking energy: -7.896 Base-Backbone interact. energy: 0.110 local terms energy: -27.800943 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.778 flat angles P-C4'-P energy: -4.670 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: 7, replica: 4 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -26.491711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.491711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.491711 (E_RNA) where: Base-Base interactions energy: -3.362 where: short stacking energy: -3.362 Base-Backbone interact. energy: -0.000 local terms energy: -23.129756 where: bonds (distance) C4'-P energy: -4.147 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -7.838 flat angles P-C4'-P energy: -2.111 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: 8, replica: 9 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -33.228719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.228719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.228719 (E_RNA) where: Base-Base interactions energy: -10.947 where: short stacking energy: -10.947 Base-Backbone interact. energy: -0.006 local terms energy: -22.274914 where: bonds (distance) C4'-P energy: -4.741 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -6.111 flat angles P-C4'-P energy: -3.812 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: 9, replica: 5 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -29.576458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.576458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.576458 (E_RNA) where: Base-Base interactions energy: -7.194 where: short stacking energy: -7.194 Base-Backbone interact. energy: -0.008 local terms energy: -22.374790 where: bonds (distance) C4'-P energy: -4.259 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -4.246 flat angles P-C4'-P energy: -2.872 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: 10, replica: 10 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -30.765677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.765677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.765677 (E_RNA) where: Base-Base interactions energy: -7.162 where: short stacking energy: -7.162 Base-Backbone interact. energy: -0.049 local terms energy: -23.554306 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -6.694 flat angles P-C4'-P energy: -3.926 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: 1, replica: 2 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -36.449017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.449017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.449017 (E_RNA) where: Base-Base interactions energy: -8.305 where: short stacking energy: -8.305 Base-Backbone interact. energy: -0.002 local terms energy: -28.142173 where: bonds (distance) C4'-P energy: -5.148 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.844 flat angles P-C4'-P energy: -6.216 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: 2, replica: 7 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -36.390005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.390005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.390005 (E_RNA) where: Base-Base interactions energy: -11.790 where: short stacking energy: -11.790 Base-Backbone interact. energy: -0.000 local terms energy: -24.599584 where: bonds (distance) C4'-P energy: -6.366 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -3.791 flat angles P-C4'-P energy: -5.552 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: 3, replica: 3 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -37.478566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.478566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.478566 (E_RNA) where: Base-Base interactions energy: -11.041 where: short stacking energy: -11.041 Base-Backbone interact. energy: -0.060 local terms energy: -26.377567 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.346 flat angles P-C4'-P energy: -3.850 tors. eta vs tors. theta energy: -2.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -32.335092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.335092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.335092 (E_RNA) where: Base-Base interactions energy: -11.513 where: short stacking energy: -11.513 Base-Backbone interact. energy: -0.000 local terms energy: -20.822044 where: bonds (distance) C4'-P energy: -3.765 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.985 flat angles P-C4'-P energy: -0.746 tors. eta vs tors. theta energy: -3.021 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: 1 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -34.154401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.154401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.154401 (E_RNA) where: Base-Base interactions energy: -10.306 where: short stacking energy: -10.306 Base-Backbone interact. energy: -0.001 local terms energy: -23.846559 where: bonds (distance) C4'-P energy: -3.106 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.714 flat angles P-C4'-P energy: -4.577 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: 6, replica: 4 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -29.112115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.112115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.112115 (E_RNA) where: Base-Base interactions energy: -6.240 where: short stacking energy: -6.240 Base-Backbone interact. energy: -0.636 local terms energy: -22.235474 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.335 flat angles P-C4'-P energy: -1.135 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: 7, replica: 8 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -31.872481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.872481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.872481 (E_RNA) where: Base-Base interactions energy: -8.959 where: short stacking energy: -8.959 Base-Backbone interact. energy: -0.024 local terms energy: -22.890029 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.612 flat angles P-C4'-P energy: -4.685 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: 5 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -31.028518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.028518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.028518 (E_RNA) where: Base-Base interactions energy: -3.432 where: short stacking energy: -3.432 Base-Backbone interact. energy: -0.000 local terms energy: -27.596074 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.987 flat angles P-C4'-P energy: -6.004 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: 9, replica: 9 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -28.890557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.890557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.890557 (E_RNA) where: Base-Base interactions energy: -6.595 where: short stacking energy: -6.595 Base-Backbone interact. energy: -0.013 local terms energy: -22.282159 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -5.280 flat angles C4'-P-C4' energy: -5.434 flat angles P-C4'-P energy: -3.556 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: 10, replica: 10 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -28.206760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.206760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.206760 (E_RNA) where: Base-Base interactions energy: -6.928 where: short stacking energy: -6.928 Base-Backbone interact. energy: -0.048 local terms energy: -21.230497 where: bonds (distance) C4'-P energy: -3.293 bonds (distance) P-C4' energy: -3.298 flat angles C4'-P-C4' energy: -6.601 flat angles P-C4'-P energy: -3.995 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: 1, replica: 7 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -39.608402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.608402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.608402 (E_RNA) where: Base-Base interactions energy: -12.333 where: short stacking energy: -12.333 Base-Backbone interact. energy: -0.029 local terms energy: -27.245551 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -5.618 flat angles P-C4'-P energy: -6.330 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: 2, replica: 2 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -36.358319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.358319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.358319 (E_RNA) where: Base-Base interactions energy: -11.423 where: short stacking energy: -11.423 Base-Backbone interact. energy: -0.196 local terms energy: -24.739290 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -5.228 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: 3, replica: 6 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -36.758228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.758228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.758228 (E_RNA) where: Base-Base interactions energy: -9.973 where: short stacking energy: -9.973 Base-Backbone interact. energy: -0.003 local terms energy: -26.782481 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.468 flat angles P-C4'-P energy: -4.740 tors. eta vs tors. theta energy: -3.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -32.934215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.934215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.934215 (E_RNA) where: Base-Base interactions energy: -9.615 where: short stacking energy: -9.615 Base-Backbone interact. energy: -0.001 local terms energy: -23.317706 where: bonds (distance) C4'-P energy: -5.263 bonds (distance) P-C4' energy: -3.879 flat angles C4'-P-C4' energy: -6.474 flat angles P-C4'-P energy: -4.767 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: 5, replica: 1 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -33.850292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.850292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.850292 (E_RNA) where: Base-Base interactions energy: -8.609 where: short stacking energy: -8.609 Base-Backbone interact. energy: -0.002 local terms energy: -25.238926 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.023 flat angles P-C4'-P energy: -3.262 tors. eta vs tors. theta energy: -2.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -32.946133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.946133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.946133 (E_RNA) where: Base-Base interactions energy: -6.551 where: short stacking energy: -5.301 Base-Backbone interact. energy: 0.238 local terms energy: -26.633172 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.375 flat angles P-C4'-P energy: -4.728 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: 7, replica: 5 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -32.027942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.027942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.027942 (E_RNA) where: Base-Base interactions energy: -9.504 where: short stacking energy: -6.613 Base-Backbone interact. energy: -0.094 local terms energy: -22.430454 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -6.072 flat angles C4'-P-C4' energy: -7.219 flat angles P-C4'-P energy: -1.591 tors. eta vs tors. theta energy: -3.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -29.994798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.994798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.994798 (E_RNA) where: Base-Base interactions energy: -12.612 where: short stacking energy: -12.612 Base-Backbone interact. energy: -0.000 local terms energy: -17.382461 where: bonds (distance) C4'-P energy: -2.300 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -3.201 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: 9, replica: 10 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -28.324740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.324740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.324740 (E_RNA) where: Base-Base interactions energy: -3.093 where: short stacking energy: -2.873 Base-Backbone interact. energy: -1.026 local terms energy: -24.205650 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: -4.527 tors. eta vs tors. theta energy: -2.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -30.737569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.737569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.737569 (E_RNA) where: Base-Base interactions energy: -6.588 where: short stacking energy: -6.588 Base-Backbone interact. energy: -0.002 local terms energy: -24.148032 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -4.758 flat angles P-C4'-P energy: -2.024 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: 1, replica: 7 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -37.110646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.110646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.110646 (E_RNA) where: Base-Base interactions energy: -11.443 where: short stacking energy: -11.443 Base-Backbone interact. energy: -0.008 local terms energy: -25.659995 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -4.883 tors. eta vs tors. theta energy: -2.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -42.700343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.700343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.700343 (E_RNA) where: Base-Base interactions energy: -14.601 where: short stacking energy: -14.601 Base-Backbone interact. energy: -0.000 local terms energy: -28.099217 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -6.563 flat angles P-C4'-P energy: -4.953 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: 3, replica: 2 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -36.874063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.874063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.874063 (E_RNA) where: Base-Base interactions energy: -10.551 where: short stacking energy: -10.551 Base-Backbone interact. energy: -0.020 local terms energy: -26.303798 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -6.659 flat angles P-C4'-P energy: -3.034 tors. eta vs tors. theta energy: -4.810 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: 1 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -36.675176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.675176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.675176 (E_RNA) where: Base-Base interactions energy: -11.443 where: short stacking energy: -11.443 Base-Backbone interact. energy: -0.010 local terms energy: -25.222183 where: bonds (distance) C4'-P energy: -5.609 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -4.509 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: 5, replica: 3 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -33.664876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.664876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.664876 (E_RNA) where: Base-Base interactions energy: -7.193 where: short stacking energy: -7.193 Base-Backbone interact. energy: -0.024 local terms energy: -26.447636 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.674 flat angles P-C4'-P energy: -5.461 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: 6, replica: 5 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -27.529387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.529387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.529387 (E_RNA) where: Base-Base interactions energy: -8.053 where: short stacking energy: -8.053 Base-Backbone interact. energy: -0.042 local terms energy: -19.434931 where: bonds (distance) C4'-P energy: -1.533 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.960 flat angles P-C4'-P energy: -3.013 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: 7, replica: 4 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -27.663915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.663915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.663915 (E_RNA) where: Base-Base interactions energy: -7.204 where: short stacking energy: -7.204 Base-Backbone interact. energy: -0.001 local terms energy: -20.459366 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.220 flat angles P-C4'-P energy: -4.242 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: 8, replica: 10 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -29.804154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.804154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.804154 (E_RNA) where: Base-Base interactions energy: -8.135 where: short stacking energy: -8.135 Base-Backbone interact. energy: -0.015 local terms energy: -21.654401 where: bonds (distance) C4'-P energy: -5.000 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -1.732 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: 9, replica: 8 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -31.177712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.177712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.177712 (E_RNA) where: Base-Base interactions energy: -6.581 where: short stacking energy: -6.581 Base-Backbone interact. energy: -0.037 local terms energy: -24.560039 where: bonds (distance) C4'-P energy: -5.186 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -7.026 flat angles P-C4'-P energy: -3.578 tors. eta vs tors. theta energy: -1.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -30.574865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.574865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.574865 (E_RNA) where: Base-Base interactions energy: -5.959 where: short stacking energy: -5.959 Base-Backbone interact. energy: -0.015 local terms energy: -24.600641 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.500 flat angles P-C4'-P energy: -4.932 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: 1, replica: 6 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -38.828864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.828864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.828864 (E_RNA) where: Base-Base interactions energy: -9.136 where: short stacking energy: -9.136 Base-Backbone interact. energy: -0.002 local terms energy: -29.690520 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: -4.987 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: 2, replica: 7 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -41.376356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.376356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.376356 (E_RNA) where: Base-Base interactions energy: -14.838 where: short stacking energy: -14.838 Base-Backbone interact. energy: -0.000 local terms energy: -26.538440 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.611 flat angles P-C4'-P energy: -2.094 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: 3, replica: 2 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -34.130585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.130585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.130585 (E_RNA) where: Base-Base interactions energy: -11.235 where: short stacking energy: -11.235 Base-Backbone interact. energy: -0.032 local terms energy: -22.863537 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.233 flat angles P-C4'-P energy: -1.492 tors. eta vs tors. theta energy: -2.009 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: 1 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -43.029870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.029870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.029870 (E_RNA) where: Base-Base interactions energy: -15.235 where: short stacking energy: -13.730 Base-Backbone interact. energy: -0.039 local terms energy: -27.755712 where: bonds (distance) C4'-P energy: -5.326 bonds (distance) P-C4' energy: -5.087 flat angles C4'-P-C4' energy: -5.583 flat angles P-C4'-P energy: -5.929 tors. eta vs tors. theta energy: -5.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -30.496996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.496996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.496996 (E_RNA) where: Base-Base interactions energy: -9.756 where: short stacking energy: -9.756 Base-Backbone interact. energy: -0.001 local terms energy: -20.740280 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -4.924 flat angles P-C4'-P energy: -0.951 tors. eta vs tors. theta energy: -1.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -32.443705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.443705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.443705 (E_RNA) where: Base-Base interactions energy: -9.141 where: short stacking energy: -9.141 Base-Backbone interact. energy: -0.000 local terms energy: -23.303068 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -5.304 flat angles P-C4'-P energy: -4.085 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: 7, replica: 10 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -34.506943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.506943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.506943 (E_RNA) where: Base-Base interactions energy: -11.507 where: short stacking energy: -11.507 Base-Backbone interact. energy: -0.001 local terms energy: -22.999226 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -4.264 flat angles P-C4'-P energy: -2.892 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: 8, replica: 4 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -30.901312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.901312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.901312 (E_RNA) where: Base-Base interactions energy: -3.921 where: short stacking energy: -3.921 Base-Backbone interact. energy: -0.003 local terms energy: -26.977514 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -4.611 flat angles P-C4'-P energy: -5.606 tors. eta vs tors. theta energy: -2.411 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: 80 Temperature: 1.300000 Total energy: -26.875090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.875090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.875090 (E_RNA) where: Base-Base interactions energy: -3.614 where: short stacking energy: -3.614 Base-Backbone interact. energy: -0.006 local terms energy: -23.256008 where: bonds (distance) C4'-P energy: -4.180 bonds (distance) P-C4' energy: -5.737 flat angles C4'-P-C4' energy: -6.836 flat angles P-C4'-P energy: -5.138 tors. eta vs tors. theta energy: -1.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -27.699636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.699636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.699636 (E_RNA) where: Base-Base interactions energy: -3.489 where: short stacking energy: -3.489 Base-Backbone interact. energy: -0.001 local terms energy: -24.209378 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -5.786 flat angles C4'-P-C4' energy: -6.026 flat angles P-C4'-P energy: -4.796 tors. eta vs tors. theta energy: -0.491 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: 6 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -41.214045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.214045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.214045 (E_RNA) where: Base-Base interactions energy: -12.914 where: short stacking energy: -12.914 Base-Backbone interact. energy: -0.001 local terms energy: -28.298407 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.986 flat angles P-C4'-P energy: -5.048 tors. eta vs tors. theta energy: -3.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -39.450254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.450254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.450254 (E_RNA) where: Base-Base interactions energy: -13.239 where: short stacking energy: -13.239 Base-Backbone interact. energy: -0.010 local terms energy: -26.200995 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.417 flat angles P-C4'-P energy: -4.712 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: 3, replica: 7 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -40.145345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.145345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.145345 (E_RNA) where: Base-Base interactions energy: -15.512 where: short stacking energy: -12.697 Base-Backbone interact. energy: -0.113 local terms energy: -24.520796 where: bonds (distance) C4'-P energy: -3.401 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -4.877 tors. eta vs tors. theta energy: -3.834 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: 5 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -37.216947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.216947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.216947 (E_RNA) where: Base-Base interactions energy: -12.650 where: short stacking energy: -12.650 Base-Backbone interact. energy: -0.029 local terms energy: -24.537614 where: bonds (distance) C4'-P energy: -5.727 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -3.256 flat angles P-C4'-P energy: -4.227 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: 5, replica: 1 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -32.565737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.565737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.565737 (E_RNA) where: Base-Base interactions energy: -6.799 where: short stacking energy: -6.877 Base-Backbone interact. energy: -0.074 local terms energy: -25.692981 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.456 flat angles P-C4'-P energy: -4.188 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: 6, replica: 10 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -36.610754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.610754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.610754 (E_RNA) where: Base-Base interactions energy: -12.279 where: short stacking energy: -12.279 Base-Backbone interact. energy: -0.008 local terms energy: -24.323379 where: bonds (distance) C4'-P energy: -5.317 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.277 flat angles P-C4'-P energy: -4.903 tors. eta vs tors. theta energy: -1.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -28.303816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.303816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.303816 (E_RNA) where: Base-Base interactions energy: -6.397 where: short stacking energy: -6.397 Base-Backbone interact. energy: -0.091 local terms energy: -21.815135 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -4.162 flat angles P-C4'-P energy: -4.644 tors. eta vs tors. theta energy: -0.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -31.167292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.167292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.167292 (E_RNA) where: Base-Base interactions energy: -5.605 where: short stacking energy: -5.586 Base-Backbone interact. energy: 0.210 local terms energy: -25.772222 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -7.252 flat angles P-C4'-P energy: -3.366 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: 9, replica: 4 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -31.052918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.052918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.052918 (E_RNA) where: Base-Base interactions energy: -7.349 where: short stacking energy: -7.349 Base-Backbone interact. energy: -0.003 local terms energy: -23.701588 where: bonds (distance) C4'-P energy: -5.314 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.000 flat angles P-C4'-P energy: -5.265 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: 10, replica: 8 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -29.665747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.665747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.665747 (E_RNA) where: Base-Base interactions energy: -10.291 where: short stacking energy: -10.291 Base-Backbone interact. energy: -0.098 local terms energy: -19.276338 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -3.299 flat angles P-C4'-P energy: -2.355 tors. eta vs tors. theta energy: -1.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -39.769357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.769357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.769357 (E_RNA) where: Base-Base interactions energy: -10.131 where: short stacking energy: -10.131 Base-Backbone interact. energy: -0.061 local terms energy: -29.576826 where: bonds (distance) C4'-P energy: -6.970 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -4.641 tors. eta vs tors. theta energy: -3.767 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: 6 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -36.360537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.360537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.360537 (E_RNA) where: Base-Base interactions energy: -10.276 where: short stacking energy: -9.513 Base-Backbone interact. energy: -0.101 local terms energy: -25.983718 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.780 flat angles P-C4'-P energy: -3.746 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: 3, replica: 5 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -37.359171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.359171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.359171 (E_RNA) where: Base-Base interactions energy: -10.621 where: short stacking energy: -10.621 Base-Backbone interact. energy: -0.000 local terms energy: -26.738219 where: bonds (distance) C4'-P energy: -6.366 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -7.294 flat angles P-C4'-P energy: -3.513 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: 4, replica: 7 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -34.064007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.064007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.064007 (E_RNA) where: Base-Base interactions energy: -9.329 where: short stacking energy: -9.329 Base-Backbone interact. energy: -0.013 local terms energy: -24.722048 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -5.360 flat angles C4'-P-C4' energy: -6.871 flat angles P-C4'-P energy: -4.053 tors. eta vs tors. theta energy: -1.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -37.026138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.026138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.026138 (E_RNA) where: Base-Base interactions energy: -10.777 where: short stacking energy: -10.777 Base-Backbone interact. energy: -0.007 local terms energy: -26.241742 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.678 flat angles P-C4'-P energy: -3.343 tors. eta vs tors. theta energy: -4.232 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: 1 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -33.701845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.701845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.701845 (E_RNA) where: Base-Base interactions energy: -8.866 where: short stacking energy: -8.866 Base-Backbone interact. energy: -0.003 local terms energy: -24.832706 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -5.545 flat angles C4'-P-C4' energy: -5.022 flat angles P-C4'-P energy: -4.180 tors. eta vs tors. theta energy: -3.765 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: 9 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -38.874927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.874927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.874927 (E_RNA) where: Base-Base interactions energy: -8.338 where: short stacking energy: -8.338 Base-Backbone interact. energy: -0.000 local terms energy: -30.536411 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -6.760 flat angles P-C4'-P energy: -5.330 tors. eta vs tors. theta energy: -7.494 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: 82 Temperature: 1.250000 Total energy: -30.194655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.194655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.194655 (E_RNA) where: Base-Base interactions energy: -8.184 where: short stacking energy: -8.184 Base-Backbone interact. energy: -0.110 local terms energy: -21.900604 where: bonds (distance) C4'-P energy: -4.137 bonds (distance) P-C4' energy: -4.501 flat angles C4'-P-C4' energy: -6.995 flat angles P-C4'-P energy: -5.171 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: 9, replica: 8 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -28.293033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.293033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.293033 (E_RNA) where: Base-Base interactions energy: -3.028 where: short stacking energy: -3.028 Base-Backbone interact. energy: -0.001 local terms energy: -25.264774 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -5.103 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: 10, replica: 4 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -33.410073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.410073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.410073 (E_RNA) where: Base-Base interactions energy: -7.694 where: short stacking energy: -7.694 Base-Backbone interact. energy: -0.000 local terms energy: -25.715782 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -6.286 flat angles P-C4'-P energy: -3.427 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: 2 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -38.294798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.294798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.294798 (E_RNA) where: Base-Base interactions energy: -12.246 where: short stacking energy: -10.731 Base-Backbone interact. energy: -0.100 local terms energy: -25.948704 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -7.361 flat angles P-C4'-P energy: -5.760 tors. eta vs tors. theta energy: -0.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -41.187004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.187004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.187004 (E_RNA) where: Base-Base interactions energy: -14.019 where: short stacking energy: -14.019 Base-Backbone interact. energy: 0.007 local terms energy: -27.175393 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -6.032 flat angles C4'-P-C4' energy: -6.833 flat angles P-C4'-P energy: -3.675 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: 3, replica: 6 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -35.185082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.185082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.185082 (E_RNA) where: Base-Base interactions energy: -10.108 where: short stacking energy: -10.108 Base-Backbone interact. energy: -0.002 local terms energy: -25.074488 where: bonds (distance) C4'-P energy: -5.364 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.394 flat angles P-C4'-P energy: -4.312 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: 4, replica: 10 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -30.122859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.122859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.122859 (E_RNA) where: Base-Base interactions energy: -6.104 where: short stacking energy: -6.104 Base-Backbone interact. energy: -0.070 local terms energy: -23.948947 where: bonds (distance) C4'-P energy: -5.603 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -6.036 flat angles P-C4'-P energy: -4.139 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: 5, replica: 7 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -36.682046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.682046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.682046 (E_RNA) where: Base-Base interactions energy: -9.940 where: short stacking energy: -9.940 Base-Backbone interact. energy: -0.099 local terms energy: -26.643181 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.107 flat angles P-C4'-P energy: -3.877 tors. eta vs tors. theta energy: -3.274 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: 9 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -32.444164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.444164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.444164 (E_RNA) where: Base-Base interactions energy: -11.069 where: short stacking energy: -10.801 Base-Backbone interact. energy: -0.067 local terms energy: -21.308589 where: bonds (distance) C4'-P energy: -3.145 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -6.636 flat angles P-C4'-P energy: -1.861 tors. eta vs tors. theta energy: -2.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -32.572715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.572715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.572715 (E_RNA) where: Base-Base interactions energy: -11.915 where: short stacking energy: -11.915 Base-Backbone interact. energy: -0.003 local terms energy: -20.654562 where: bonds (distance) C4'-P energy: -6.009 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -2.767 flat angles P-C4'-P energy: -2.666 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: 8, replica: 8 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -31.671128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.671128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.671128 (E_RNA) where: Base-Base interactions energy: -15.306 where: short stacking energy: -15.306 Base-Backbone interact. energy: -0.000 local terms energy: -16.364829 where: bonds (distance) C4'-P energy: -2.225 bonds (distance) P-C4' energy: -4.772 flat angles C4'-P-C4' energy: -4.493 flat angles P-C4'-P energy: -1.651 tors. eta vs tors. theta energy: -3.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -32.283126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.283126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.283126 (E_RNA) where: Base-Base interactions energy: -11.275 where: short stacking energy: -11.275 Base-Backbone interact. energy: -0.001 local terms energy: -21.007452 where: bonds (distance) C4'-P energy: -4.800 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.331 flat angles P-C4'-P energy: -2.223 tors. eta vs tors. theta energy: -2.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -29.955736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.955736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.955736 (E_RNA) where: Base-Base interactions energy: -6.975 where: short stacking energy: -6.975 Base-Backbone interact. energy: -0.034 local terms energy: -22.946451 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -7.130 flat angles P-C4'-P energy: -2.207 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: 1, replica: 5 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -40.580500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.580500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.580500 (E_RNA) where: Base-Base interactions energy: -14.034 where: short stacking energy: -14.034 Base-Backbone interact. energy: -0.000 local terms energy: -26.546749 where: bonds (distance) C4'-P energy: -4.526 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.168 flat angles P-C4'-P energy: -3.210 tors. eta vs tors. theta energy: -4.841 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: 2 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -41.480524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.480524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.480524 (E_RNA) where: Base-Base interactions energy: -12.960 where: short stacking energy: -12.960 Base-Backbone interact. energy: -0.008 local terms energy: -28.512833 where: bonds (distance) C4'-P energy: -6.878 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.180 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: -3.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -36.853517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.853517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.853517 (E_RNA) where: Base-Base interactions energy: -12.880 where: short stacking energy: -6.304 Base-Backbone interact. energy: -0.030 local terms energy: -23.943062 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.782 flat angles P-C4'-P energy: -4.621 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: 4, replica: 10 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -32.509146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.509146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.509146 (E_RNA) where: Base-Base interactions energy: -8.365 where: short stacking energy: -8.365 Base-Backbone interact. energy: -0.066 local terms energy: -24.078532 where: bonds (distance) C4'-P energy: -4.490 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -5.249 tors. eta vs tors. theta energy: -1.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -41.445591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.445591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.445591 (E_RNA) where: Base-Base interactions energy: -16.124 where: short stacking energy: -16.124 Base-Backbone interact. energy: -0.007 local terms energy: -25.314064 where: bonds (distance) C4'-P energy: -5.773 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -5.527 flat angles P-C4'-P energy: -3.878 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: 84 Temperature: 1.150000 Total energy: -35.002111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.002111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.002111 (E_RNA) where: Base-Base interactions energy: -7.758 where: short stacking energy: -7.758 Base-Backbone interact. energy: -0.000 local terms energy: -27.244455 where: bonds (distance) C4'-P energy: -4.813 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -5.762 flat angles P-C4'-P energy: -3.155 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: 7, replica: 1 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -30.198794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.198794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.198794 (E_RNA) where: Base-Base interactions energy: -7.764 where: short stacking energy: -7.764 Base-Backbone interact. energy: -0.137 local terms energy: -22.297406 where: bonds (distance) C4'-P energy: -5.193 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.326 flat angles P-C4'-P energy: -2.672 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: 8, replica: 8 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -32.925808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.925808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.925808 (E_RNA) where: Base-Base interactions energy: -9.335 where: short stacking energy: -9.335 Base-Backbone interact. energy: -0.001 local terms energy: -23.589808 where: bonds (distance) C4'-P energy: -5.620 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -4.260 flat angles P-C4'-P energy: -4.513 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: 9, replica: 4 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -30.394453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.394453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.394453 (E_RNA) where: Base-Base interactions energy: -7.528 where: short stacking energy: -7.628 Base-Backbone interact. energy: -0.085 local terms energy: -22.780757 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -3.925 flat angles P-C4'-P energy: -3.960 tors. eta vs tors. theta energy: -1.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -29.095769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.095769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.095769 (E_RNA) where: Base-Base interactions energy: -10.921 where: short stacking energy: -10.921 Base-Backbone interact. energy: -0.003 local terms energy: -18.171255 where: bonds (distance) C4'-P energy: -3.877 bonds (distance) P-C4' energy: -5.280 flat angles C4'-P-C4' energy: -3.619 flat angles P-C4'-P energy: -3.632 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: 5 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -40.965563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.965563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.965563 (E_RNA) where: Base-Base interactions energy: -15.274 where: short stacking energy: -15.274 Base-Backbone interact. energy: -0.000 local terms energy: -25.691467 where: bonds (distance) C4'-P energy: -4.395 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -5.648 flat angles P-C4'-P energy: -4.749 tors. eta vs tors. theta energy: -3.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -44.684426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.684426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.684426 (E_RNA) where: Base-Base interactions energy: -14.645 where: short stacking energy: -12.999 Base-Backbone interact. energy: -1.018 local terms energy: -29.022083 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.392 flat angles P-C4'-P energy: -5.687 tors. eta vs tors. theta energy: -3.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -36.970460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.970460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.970460 (E_RNA) where: Base-Base interactions energy: -10.961 where: short stacking energy: -11.112 Base-Backbone interact. energy: -0.100 local terms energy: -25.910133 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.496 flat angles P-C4'-P energy: -5.419 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: 4, replica: 9 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -35.693221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.693221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.693221 (E_RNA) where: Base-Base interactions energy: -10.028 where: short stacking energy: -10.028 Base-Backbone interact. energy: -0.076 local terms energy: -25.589551 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -5.457 tors. eta vs tors. theta energy: -0.062 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: 85 Temperature: 1.100000 Total energy: -36.579589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.579589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.579589 (E_RNA) where: Base-Base interactions energy: -10.495 where: short stacking energy: -10.495 Base-Backbone interact. energy: -0.074 local terms energy: -26.010052 where: bonds (distance) C4'-P energy: -5.426 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -4.853 tors. eta vs tors. theta energy: -2.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -32.289571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.289571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.289571 (E_RNA) where: Base-Base interactions energy: -7.478 where: short stacking energy: -7.478 Base-Backbone interact. energy: -0.074 local terms energy: -24.737481 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.925 flat angles P-C4'-P energy: -4.415 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: 7, replica: 7 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -33.201801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.201801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.201801 (E_RNA) where: Base-Base interactions energy: -10.034 where: short stacking energy: -10.034 Base-Backbone interact. energy: -0.002 local terms energy: -23.165474 where: bonds (distance) C4'-P energy: -5.149 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -4.392 tors. eta vs tors. theta energy: -2.148 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: 4 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -30.637108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.637108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.637108 (E_RNA) where: Base-Base interactions energy: -7.920 where: short stacking energy: -7.920 Base-Backbone interact. energy: -0.029 local terms energy: -22.687702 where: bonds (distance) C4'-P energy: -4.804 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.124 flat angles P-C4'-P energy: -2.129 tors. eta vs tors. theta energy: -2.075 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: 8 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -28.557055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.557055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.557055 (E_RNA) where: Base-Base interactions energy: -9.257 where: short stacking energy: -9.257 Base-Backbone interact. energy: -0.007 local terms energy: -19.292955 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.498 flat angles P-C4'-P energy: -0.558 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: 3 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -28.253366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.253366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.253366 (E_RNA) where: Base-Base interactions energy: -5.294 where: short stacking energy: -4.155 Base-Backbone interact. energy: -0.003 local terms energy: -22.956264 where: bonds (distance) C4'-P energy: -4.838 bonds (distance) P-C4' energy: -7.246 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -3.042 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: 1, replica: 6 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -40.699169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.699169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.699169 (E_RNA) where: Base-Base interactions energy: -9.952 where: short stacking energy: -9.952 Base-Backbone interact. energy: -0.000 local terms energy: -30.747491 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.389 flat angles P-C4'-P energy: -4.881 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: 2, replica: 5 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -39.217181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.217181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.217181 (E_RNA) where: Base-Base interactions energy: -14.791 where: short stacking energy: -14.791 Base-Backbone interact. energy: -0.008 local terms energy: -24.418122 where: bonds (distance) C4'-P energy: -3.951 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -6.952 flat angles P-C4'-P energy: -3.190 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: 3, replica: 9 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -37.604826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.604826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.604826 (E_RNA) where: Base-Base interactions energy: -15.500 where: short stacking energy: -10.697 Base-Backbone interact. energy: -0.046 local terms energy: -22.058744 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -5.832 flat angles P-C4'-P energy: 0.021 tors. eta vs tors. theta energy: -4.036 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: 2 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -35.894919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.894919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.894919 (E_RNA) where: Base-Base interactions energy: -9.274 where: short stacking energy: -9.274 Base-Backbone interact. energy: -0.006 local terms energy: -26.614053 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -4.558 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: 1 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -33.598547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.598547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.598547 (E_RNA) where: Base-Base interactions energy: -7.190 where: short stacking energy: -7.190 Base-Backbone interact. energy: -0.005 local terms energy: -26.404514 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -4.601 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: 6, replica: 10 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -34.636739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.636739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.636739 (E_RNA) where: Base-Base interactions energy: -8.147 where: short stacking energy: -8.147 Base-Backbone interact. energy: -1.017 local terms energy: -25.473410 where: bonds (distance) C4'-P energy: -4.936 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -5.778 flat angles P-C4'-P energy: -4.043 tors. eta vs tors. theta energy: -3.932 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: 7, replica: 4 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -28.212383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.212383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.212383 (E_RNA) where: Base-Base interactions energy: -3.505 where: short stacking energy: -3.505 Base-Backbone interact. energy: -0.104 local terms energy: -24.602987 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -4.363 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: 8, replica: 7 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -28.891823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.891823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.891823 (E_RNA) where: Base-Base interactions energy: -8.083 where: short stacking energy: -8.183 Base-Backbone interact. energy: 1.527 local terms energy: -22.335969 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.896 flat angles P-C4'-P energy: -3.821 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: 9, replica: 3 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -27.023697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.023697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.023697 (E_RNA) where: Base-Base interactions energy: -7.790 where: short stacking energy: -7.790 Base-Backbone interact. energy: -0.032 local terms energy: -19.201800 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -4.663 flat angles P-C4'-P energy: -5.034 tors. eta vs tors. theta energy: 2.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -27.018035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.018035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.018035 (E_RNA) where: Base-Base interactions energy: -2.918 where: short stacking energy: -2.918 Base-Backbone interact. energy: -0.015 local terms energy: -24.085239 where: bonds (distance) C4'-P energy: -5.599 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.515 flat angles P-C4'-P energy: -3.821 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: 1, replica: 6 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -35.849921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.849921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.849921 (E_RNA) where: Base-Base interactions energy: -10.798 where: short stacking energy: -10.798 Base-Backbone interact. energy: -0.001 local terms energy: -25.050364 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -7.136 flat angles P-C4'-P energy: -4.895 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: 2, replica: 9 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -33.863354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.863354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.863354 (E_RNA) where: Base-Base interactions energy: -11.361 where: short stacking energy: -11.361 Base-Backbone interact. energy: -0.029 local terms energy: -22.473550 where: bonds (distance) C4'-P energy: -5.687 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -5.319 flat angles P-C4'-P energy: -3.589 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: 3, replica: 5 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -35.305182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.305182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.305182 (E_RNA) where: Base-Base interactions energy: -9.209 where: short stacking energy: -9.209 Base-Backbone interact. energy: -0.001 local terms energy: -26.095811 where: bonds (distance) C4'-P energy: -5.835 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.100 flat angles P-C4'-P energy: -4.465 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: 4, replica: 1 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -33.025202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.025202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.025202 (E_RNA) where: Base-Base interactions energy: -9.696 where: short stacking energy: -9.696 Base-Backbone interact. energy: -0.117 local terms energy: -23.211949 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.345 flat angles P-C4'-P energy: -4.158 tors. eta vs tors. theta energy: 1.596 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: 2 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -29.629773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.629773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.629773 (E_RNA) where: Base-Base interactions energy: -6.082 where: short stacking energy: -6.082 Base-Backbone interact. energy: -0.010 local terms energy: -23.538230 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.553 flat angles P-C4'-P energy: -5.095 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: 6, replica: 4 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -32.735654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.735654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.735654 (E_RNA) where: Base-Base interactions energy: -9.897 where: short stacking energy: -9.897 Base-Backbone interact. energy: -0.039 local terms energy: -22.799822 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.290 flat angles C4'-P-C4' energy: -3.522 flat angles P-C4'-P energy: -3.973 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: 7, replica: 10 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -29.731019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.731019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.731019 (E_RNA) where: Base-Base interactions energy: -7.029 where: short stacking energy: -6.300 Base-Backbone interact. energy: -0.083 local terms energy: -22.619537 where: bonds (distance) C4'-P energy: -3.774 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -7.214 flat angles P-C4'-P energy: -3.402 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: 8, replica: 3 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -32.063634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.063634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.063634 (E_RNA) where: Base-Base interactions energy: -6.473 where: short stacking energy: -6.473 Base-Backbone interact. energy: -0.012 local terms energy: -25.578835 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -3.361 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: 9, replica: 7 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -33.148905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.148905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.148905 (E_RNA) where: Base-Base interactions energy: -7.581 where: short stacking energy: -7.581 Base-Backbone interact. energy: -0.000 local terms energy: -25.568271 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -4.902 flat angles C4'-P-C4' energy: -6.282 flat angles P-C4'-P energy: -3.849 tors. eta vs tors. theta energy: -4.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -33.662228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.662228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.662228 (E_RNA) where: Base-Base interactions energy: -8.651 where: short stacking energy: -8.651 Base-Backbone interact. energy: -0.001 local terms energy: -25.009735 where: bonds (distance) C4'-P energy: -4.652 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.178 flat angles P-C4'-P energy: -3.152 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: 1, replica: 9 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -38.733927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.733927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.733927 (E_RNA) where: Base-Base interactions energy: -10.254 where: short stacking energy: -9.390 Base-Backbone interact. energy: -0.348 local terms energy: -28.132122 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.234 flat angles P-C4'-P energy: -5.731 tors. eta vs tors. theta energy: -3.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -37.533124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.533124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.533124 (E_RNA) where: Base-Base interactions energy: -10.397 where: short stacking energy: -10.397 Base-Backbone interact. energy: -0.101 local terms energy: -27.035551 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -5.421 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: 5 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -34.792267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.792267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.792267 (E_RNA) where: Base-Base interactions energy: -9.196 where: short stacking energy: -8.343 Base-Backbone interact. energy: -0.012 local terms energy: -25.584735 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -4.412 tors. eta vs tors. theta energy: -1.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -32.925166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.925166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.925166 (E_RNA) where: Base-Base interactions energy: -6.581 where: short stacking energy: -6.881 Base-Backbone interact. energy: -0.097 local terms energy: -26.247821 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.971 flat angles P-C4'-P energy: -4.658 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: 5, replica: 4 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -30.345468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.345468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.345468 (E_RNA) where: Base-Base interactions energy: -7.470 where: short stacking energy: -7.470 Base-Backbone interact. energy: -0.004 local terms energy: -22.871739 where: bonds (distance) C4'-P energy: -6.523 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -4.122 flat angles P-C4'-P energy: -3.807 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: 6, replica: 2 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -34.565202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.565202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.565202 (E_RNA) where: Base-Base interactions energy: -8.708 where: short stacking energy: -8.708 Base-Backbone interact. energy: -0.006 local terms energy: -25.851528 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -3.895 flat angles P-C4'-P energy: -4.753 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: 7, replica: 3 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -32.006659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.006659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.006659 (E_RNA) where: Base-Base interactions energy: -6.311 where: short stacking energy: -6.311 Base-Backbone interact. energy: -0.003 local terms energy: -25.692805 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.691 flat angles P-C4'-P energy: -4.067 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: 8, replica: 10 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -30.536943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.536943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.536943 (E_RNA) where: Base-Base interactions energy: -10.048 where: short stacking energy: -10.048 Base-Backbone interact. energy: -0.000 local terms energy: -20.488316 where: bonds (distance) C4'-P energy: -4.046 bonds (distance) P-C4' energy: -5.156 flat angles C4'-P-C4' energy: -6.457 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: -0.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -29.360993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.360993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.360993 (E_RNA) where: Base-Base interactions energy: -6.229 where: short stacking energy: -6.155 Base-Backbone interact. energy: -0.000 local terms energy: -23.131060 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -3.541 flat angles P-C4'-P energy: -4.719 tors. eta vs tors. theta energy: -0.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -29.056742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.056742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.056742 (E_RNA) where: Base-Base interactions energy: -7.212 where: short stacking energy: -7.212 Base-Backbone interact. energy: -0.006 local terms energy: -21.838074 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.251 flat angles P-C4'-P energy: -3.113 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: 1, replica: 9 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -40.837790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.837790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.837790 (E_RNA) where: Base-Base interactions energy: -11.156 where: short stacking energy: -11.156 Base-Backbone interact. energy: -0.011 local terms energy: -29.670926 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -5.892 tors. eta vs tors. theta energy: -5.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -39.551849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.551849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.551849 (E_RNA) where: Base-Base interactions energy: -14.563 where: short stacking energy: -14.563 Base-Backbone interact. energy: -0.113 local terms energy: -24.875551 where: bonds (distance) C4'-P energy: -5.123 bonds (distance) P-C4' energy: -5.745 flat angles C4'-P-C4' energy: -7.010 flat angles P-C4'-P energy: -4.472 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: 3, replica: 6 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -38.852228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.852228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.852228 (E_RNA) where: Base-Base interactions energy: -16.264 where: short stacking energy: -14.411 Base-Backbone interact. energy: -0.017 local terms energy: -22.571573 where: bonds (distance) C4'-P energy: -1.344 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -7.007 flat angles P-C4'-P energy: -5.330 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: 4, replica: 1 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -37.676983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.676983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.676983 (E_RNA) where: Base-Base interactions energy: -10.948 where: short stacking energy: -10.948 Base-Backbone interact. energy: -0.001 local terms energy: -26.728317 where: bonds (distance) C4'-P energy: -5.926 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -3.091 flat angles P-C4'-P energy: -5.010 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: 5, replica: 4 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -35.967410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.967410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.967410 (E_RNA) where: Base-Base interactions energy: -9.669 where: short stacking energy: -9.669 Base-Backbone interact. energy: -0.082 local terms energy: -26.216494 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.208 flat angles P-C4'-P energy: -3.672 tors. eta vs tors. theta energy: -1.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -38.775458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.775458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.775458 (E_RNA) where: Base-Base interactions energy: -15.140 where: short stacking energy: -15.140 Base-Backbone interact. energy: -0.042 local terms energy: -23.593241 where: bonds (distance) C4'-P energy: -5.186 bonds (distance) P-C4' energy: -5.742 flat angles C4'-P-C4' energy: -6.515 flat angles P-C4'-P energy: -1.664 tors. eta vs tors. theta energy: -4.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -32.318065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.318065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.318065 (E_RNA) where: Base-Base interactions energy: -9.874 where: short stacking energy: -10.074 Base-Backbone interact. energy: -0.128 local terms energy: -22.315365 where: bonds (distance) C4'-P energy: -5.421 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.515 flat angles P-C4'-P energy: -3.981 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: 8, replica: 8 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -30.720296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.720296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.720296 (E_RNA) where: Base-Base interactions energy: -7.131 where: short stacking energy: -7.131 Base-Backbone interact. energy: -0.012 local terms energy: -23.576387 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -5.241 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: 9, replica: 10 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -28.288539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.288539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.288539 (E_RNA) where: Base-Base interactions energy: -6.876 where: short stacking energy: -6.876 Base-Backbone interact. energy: -0.033 local terms energy: -21.379000 where: bonds (distance) C4'-P energy: -3.682 bonds (distance) P-C4' energy: -6.562 flat angles C4'-P-C4' energy: -5.447 flat angles P-C4'-P energy: -5.688 tors. eta vs tors. theta energy: 0.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -34.870632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.870632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.870632 (E_RNA) where: Base-Base interactions energy: -12.610 where: short stacking energy: -11.568 Base-Backbone interact. energy: -0.000 local terms energy: -22.260743 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -3.453 flat angles C4'-P-C4' energy: -6.220 flat angles P-C4'-P energy: -4.422 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: 1, replica: 5 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -45.018783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.018783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.018783 (E_RNA) where: Base-Base interactions energy: -14.795 where: short stacking energy: -14.795 Base-Backbone interact. energy: -0.000 local terms energy: -30.223774 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.655 flat angles P-C4'-P energy: -5.382 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: 2, replica: 9 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -40.215742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.215742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.215742 (E_RNA) where: Base-Base interactions energy: -15.981 where: short stacking energy: -15.981 Base-Backbone interact. energy: -0.218 local terms energy: -24.016457 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -3.839 flat angles C4'-P-C4' energy: -6.761 flat angles P-C4'-P energy: -4.246 tors. eta vs tors. theta energy: -2.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -32.396802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.396802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.396802 (E_RNA) where: Base-Base interactions energy: -8.660 where: short stacking energy: -8.660 Base-Backbone interact. energy: -0.004 local terms energy: -23.732929 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.902 flat angles P-C4'-P energy: -5.667 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: 4, replica: 6 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -39.065896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.065896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.065896 (E_RNA) where: Base-Base interactions energy: -9.426 where: short stacking energy: -9.426 Base-Backbone interact. energy: -0.027 local terms energy: -29.612554 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.325 flat angles P-C4'-P energy: -5.134 tors. eta vs tors. theta energy: -4.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -34.215706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.215706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.215706 (E_RNA) where: Base-Base interactions energy: -9.660 where: short stacking energy: -9.660 Base-Backbone interact. energy: -0.004 local terms energy: -24.551990 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -6.000 flat angles P-C4'-P energy: -3.409 tors. eta vs tors. theta energy: -1.835 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: 4 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -36.370361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.370361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.370361 (E_RNA) where: Base-Base interactions energy: -13.833 where: short stacking energy: -13.833 Base-Backbone interact. energy: -0.075 local terms energy: -22.462146 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -6.762 flat angles C4'-P-C4' energy: -5.908 flat angles P-C4'-P energy: -3.025 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: 7, replica: 8 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -27.605248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.605248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.605248 (E_RNA) where: Base-Base interactions energy: -3.223 where: short stacking energy: -3.223 Base-Backbone interact. energy: -0.147 local terms energy: -24.235201 where: bonds (distance) C4'-P energy: -6.229 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.422 flat angles P-C4'-P energy: -4.996 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: 8, replica: 2 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -30.494879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.494879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.494879 (E_RNA) where: Base-Base interactions energy: -6.750 where: short stacking energy: -6.750 Base-Backbone interact. energy: -0.201 local terms energy: -23.544126 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.055 flat angles P-C4'-P energy: -4.672 tors. eta vs tors. theta energy: 1.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -32.100907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.100907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.100907 (E_RNA) where: Base-Base interactions energy: -10.708 where: short stacking energy: -10.708 Base-Backbone interact. energy: -0.098 local terms energy: -21.294714 where: bonds (distance) C4'-P energy: -4.908 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -6.281 flat angles P-C4'-P energy: -1.604 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: 10, replica: 7 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -27.042791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.042791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.042791 (E_RNA) where: Base-Base interactions energy: -3.937 where: short stacking energy: -3.937 Base-Backbone interact. energy: 0.459 local terms energy: -23.565260 where: bonds (distance) C4'-P energy: -4.134 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -7.111 flat angles P-C4'-P energy: -4.957 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: 1, replica: 5 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -40.660216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.660216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.660216 (E_RNA) where: Base-Base interactions energy: -11.665 where: short stacking energy: -11.665 Base-Backbone interact. energy: -0.098 local terms energy: -28.897072 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.222 flat angles P-C4'-P energy: -5.667 tors. eta vs tors. theta energy: -4.096 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: 9 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -40.474807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.474807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.474807 (E_RNA) where: Base-Base interactions energy: -14.745 where: short stacking energy: -11.685 Base-Backbone interact. energy: -0.059 local terms energy: -25.670487 where: bonds (distance) C4'-P energy: -4.808 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.518 flat angles P-C4'-P energy: -4.525 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: 3, replica: 1 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -35.566368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.566368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.566368 (E_RNA) where: Base-Base interactions energy: -9.653 where: short stacking energy: -9.653 Base-Backbone interact. energy: -0.051 local terms energy: -25.862646 where: bonds (distance) C4'-P energy: -6.481 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -5.997 flat angles P-C4'-P energy: -5.373 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: 4, replica: 6 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -37.288232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.288232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.288232 (E_RNA) where: Base-Base interactions energy: -9.451 where: short stacking energy: -9.451 Base-Backbone interact. energy: -0.002 local terms energy: -27.835533 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.126 flat angles P-C4'-P energy: -4.922 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: 5, replica: 3 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -31.713476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.713476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.713476 (E_RNA) where: Base-Base interactions energy: -6.555 where: short stacking energy: -6.555 Base-Backbone interact. energy: -0.036 local terms energy: -25.122671 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.386 flat angles P-C4'-P energy: -4.924 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: 6, replica: 8 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -31.008985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.008985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.008985 (E_RNA) where: Base-Base interactions energy: -6.840 where: short stacking energy: -6.840 Base-Backbone interact. energy: -0.000 local terms energy: -24.168619 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -6.305 flat angles P-C4'-P energy: -1.702 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: 91 Temperature: 1.200000 Total energy: -35.296058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.296058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.296058 (E_RNA) where: Base-Base interactions energy: -10.481 where: short stacking energy: -10.481 Base-Backbone interact. energy: -0.095 local terms energy: -24.719936 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.374 flat angles P-C4'-P energy: -3.050 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: 10 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -31.328548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.328548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.328548 (E_RNA) where: Base-Base interactions energy: -3.283 where: short stacking energy: -3.283 Base-Backbone interact. energy: -0.001 local terms energy: -28.045143 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -5.545 flat angles P-C4'-P energy: -5.659 tors. eta vs tors. theta energy: -3.615 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: 2 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -33.919941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.919941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.919941 (E_RNA) where: Base-Base interactions energy: -9.068 where: short stacking energy: -9.068 Base-Backbone interact. energy: -0.002 local terms energy: -24.850499 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -4.648 flat angles P-C4'-P energy: -3.279 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: 10, replica: 7 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -26.334419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.334419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.334419 (E_RNA) where: Base-Base interactions energy: -8.273 where: short stacking energy: -8.273 Base-Backbone interact. energy: -0.001 local terms energy: -18.060834 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -5.814 flat angles C4'-P-C4' energy: -1.143 flat angles P-C4'-P energy: -3.243 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: 1, replica: 5 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -39.833646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.833646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.833646 (E_RNA) where: Base-Base interactions energy: -10.932 where: short stacking energy: -10.932 Base-Backbone interact. energy: -0.008 local terms energy: -28.894016 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -7.010 flat angles C4'-P-C4' energy: -6.732 flat angles P-C4'-P energy: -4.906 tors. eta vs tors. theta energy: -3.847 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: 2, replica: 9 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -36.213558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.213558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.213558 (E_RNA) where: Base-Base interactions energy: -11.776 where: short stacking energy: -10.960 Base-Backbone interact. energy: -0.534 local terms energy: -23.903994 where: bonds (distance) C4'-P energy: -4.846 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -5.944 flat angles P-C4'-P energy: -5.391 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: 3, replica: 6 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -37.740087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.740087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.740087 (E_RNA) where: Base-Base interactions energy: -10.042 where: short stacking energy: -10.042 Base-Backbone interact. energy: -0.000 local terms energy: -27.697891 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.794 flat angles P-C4'-P energy: -3.409 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: 4, replica: 1 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -33.216723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.216723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.216723 (E_RNA) where: Base-Base interactions energy: -8.112 where: short stacking energy: -8.112 Base-Backbone interact. energy: -0.032 local terms energy: -25.073072 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.965 flat angles P-C4'-P energy: -3.050 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: 5, replica: 8 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -38.762350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.762350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.762350 (E_RNA) where: Base-Base interactions energy: -12.398 where: short stacking energy: -12.398 Base-Backbone interact. energy: -0.011 local terms energy: -26.353840 where: bonds (distance) C4'-P energy: -5.387 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.773 flat angles P-C4'-P energy: -4.404 tors. eta vs tors. theta energy: -2.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -33.395303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.395303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.395303 (E_RNA) where: Base-Base interactions energy: -12.161 where: short stacking energy: -12.161 Base-Backbone interact. energy: -0.002 local terms energy: -21.232674 where: bonds (distance) C4'-P energy: -4.891 bonds (distance) P-C4' energy: -3.044 flat angles C4'-P-C4' energy: -5.324 flat angles P-C4'-P energy: -4.844 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: 7, replica: 10 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -29.774804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.774804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.774804 (E_RNA) where: Base-Base interactions energy: -4.561 where: short stacking energy: -4.561 Base-Backbone interact. energy: -0.001 local terms energy: -25.212184 where: bonds (distance) C4'-P energy: -6.213 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -3.896 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: 8, replica: 4 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -27.738115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.738115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.738115 (E_RNA) where: Base-Base interactions energy: -4.906 where: short stacking energy: -4.906 Base-Backbone interact. energy: -0.000 local terms energy: -22.831357 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -5.706 flat angles C4'-P-C4' energy: -5.341 flat angles P-C4'-P energy: -5.065 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: 7 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -30.658835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.658835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.658835 (E_RNA) where: Base-Base interactions energy: -9.361 where: short stacking energy: -8.100 Base-Backbone interact. energy: -0.013 local terms energy: -21.284744 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -5.185 flat angles C4'-P-C4' energy: -5.616 flat angles P-C4'-P energy: -5.647 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: 10, replica: 2 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -29.314318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.314318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.314318 (E_RNA) where: Base-Base interactions energy: -9.607 where: short stacking energy: -9.607 Base-Backbone interact. energy: -0.006 local terms energy: -19.701606 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -5.544 flat angles P-C4'-P energy: -2.154 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: 1, replica: 5 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -35.439512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.439512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.439512 (E_RNA) where: Base-Base interactions energy: -8.908 where: short stacking energy: -8.908 Base-Backbone interact. energy: -0.257 local terms energy: -26.274444 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.079 flat angles P-C4'-P energy: -4.198 tors. eta vs tors. theta energy: -2.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -40.318105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.318105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.318105 (E_RNA) where: Base-Base interactions energy: -16.017 where: short stacking energy: -16.017 Base-Backbone interact. energy: -0.051 local terms energy: -24.250063 where: bonds (distance) C4'-P energy: -5.719 bonds (distance) P-C4' energy: -5.742 flat angles C4'-P-C4' energy: -7.647 flat angles P-C4'-P energy: -5.167 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: 3, replica: 9 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -30.470242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.470242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.470242 (E_RNA) where: Base-Base interactions energy: -6.506 where: short stacking energy: -6.506 Base-Backbone interact. energy: -0.005 local terms energy: -23.959748 where: bonds (distance) C4'-P energy: -5.149 bonds (distance) P-C4' energy: -6.737 flat angles C4'-P-C4' energy: -4.684 flat angles P-C4'-P energy: -4.619 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: 8 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -37.038315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.038315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.038315 (E_RNA) where: Base-Base interactions energy: -10.545 where: short stacking energy: -10.545 Base-Backbone interact. energy: -0.075 local terms energy: -26.418292 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -7.056 flat angles P-C4'-P energy: -4.321 tors. eta vs tors. theta energy: -1.135 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: 1 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -32.799069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.799069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.799069 (E_RNA) where: Base-Base interactions energy: -8.958 where: short stacking energy: -8.958 Base-Backbone interact. energy: -0.000 local terms energy: -23.840763 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -5.029 flat angles P-C4'-P energy: -1.554 tors. eta vs tors. theta energy: -3.652 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: 10 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -31.887103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.887103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.887103 (E_RNA) where: Base-Base interactions energy: -5.770 where: short stacking energy: -5.770 Base-Backbone interact. energy: 0.314 local terms energy: -26.431019 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -7.151 flat angles P-C4'-P energy: -3.597 tors. eta vs tors. theta energy: -2.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -27.597243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.597243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.597243 (E_RNA) where: Base-Base interactions energy: -3.563 where: short stacking energy: -3.563 Base-Backbone interact. energy: -0.106 local terms energy: -23.928471 where: bonds (distance) C4'-P energy: -5.503 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.123 flat angles P-C4'-P energy: -3.862 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: 8, replica: 7 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -28.891485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.891485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.891485 (E_RNA) where: Base-Base interactions energy: -6.377 where: short stacking energy: -6.377 Base-Backbone interact. energy: 0.418 local terms energy: -22.932363 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -6.301 flat angles P-C4'-P energy: -3.953 tors. eta vs tors. theta energy: 1.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -26.781480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.781480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.781480 (E_RNA) where: Base-Base interactions energy: -3.591 where: short stacking energy: -3.591 Base-Backbone interact. energy: -0.041 local terms energy: -23.150425 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.243 flat angles C4'-P-C4' energy: -5.612 flat angles P-C4'-P energy: -3.471 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: 10, replica: 2 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -27.538256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.538256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.538256 (E_RNA) where: Base-Base interactions energy: -2.478 where: short stacking energy: -2.478 Base-Backbone interact. energy: -0.009 local terms energy: -25.050813 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -6.334 flat angles P-C4'-P energy: -4.690 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: 1, replica: 6 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -37.056122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.056122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.056122 (E_RNA) where: Base-Base interactions energy: -12.746 where: short stacking energy: -12.746 Base-Backbone interact. energy: -0.005 local terms energy: -24.304754 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.754 flat angles P-C4'-P energy: -4.205 tors. eta vs tors. theta energy: -2.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -39.004778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.004778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.004778 (E_RNA) where: Base-Base interactions energy: -11.177 where: short stacking energy: -11.177 Base-Backbone interact. energy: -0.006 local terms energy: -27.821985 where: bonds (distance) C4'-P energy: -5.426 bonds (distance) P-C4' energy: -5.590 flat angles C4'-P-C4' energy: -4.577 flat angles P-C4'-P energy: -6.261 tors. eta vs tors. theta energy: -5.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -38.673179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.673179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.673179 (E_RNA) where: Base-Base interactions energy: -11.812 where: short stacking energy: -11.812 Base-Backbone interact. energy: -0.019 local terms energy: -26.842330 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -6.725 flat angles P-C4'-P energy: -3.947 tors. eta vs tors. theta energy: -3.021 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: 9 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -36.982546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.982546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.982546 (E_RNA) where: Base-Base interactions energy: -8.599 where: short stacking energy: -8.599 Base-Backbone interact. energy: -0.018 local terms energy: -28.365188 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.889 flat angles P-C4'-P energy: -3.045 tors. eta vs tors. theta energy: -3.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -33.956573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.956573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.956573 (E_RNA) where: Base-Base interactions energy: -10.834 where: short stacking energy: -10.834 Base-Backbone interact. energy: 0.440 local terms energy: -23.561953 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -4.002 flat angles C4'-P-C4' energy: -5.926 flat angles P-C4'-P energy: -5.077 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: 1 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -35.855710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.855710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.855710 (E_RNA) where: Base-Base interactions energy: -10.438 where: short stacking energy: -10.438 Base-Backbone interact. energy: -0.000 local terms energy: -25.417067 where: bonds (distance) C4'-P energy: -4.515 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.789 flat angles P-C4'-P energy: -5.342 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: 94 Temperature: 1.200000 Total energy: -33.266384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.266384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.266384 (E_RNA) where: Base-Base interactions energy: -9.804 where: short stacking energy: -9.804 Base-Backbone interact. energy: -0.000 local terms energy: -23.461926 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.975 flat angles P-C4'-P energy: -2.209 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: 8, replica: 3 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -35.073858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.073858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.073858 (E_RNA) where: Base-Base interactions energy: -8.826 where: short stacking energy: -8.826 Base-Backbone interact. energy: -0.001 local terms energy: -26.247235 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -6.901 flat angles P-C4'-P energy: -5.223 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: 2 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -30.856285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.856285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.856285 (E_RNA) where: Base-Base interactions energy: -6.467 where: short stacking energy: -6.467 Base-Backbone interact. energy: -0.002 local terms energy: -24.387674 where: bonds (distance) C4'-P energy: -6.100 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -3.369 flat angles P-C4'-P energy: -4.021 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: 4 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -32.318981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.318981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.318981 (E_RNA) where: Base-Base interactions energy: -8.620 where: short stacking energy: -8.620 Base-Backbone interact. energy: -0.001 local terms energy: -23.698074 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -3.743 flat angles C4'-P-C4' energy: -5.710 flat angles P-C4'-P energy: -5.410 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: 1, replica: 6 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -43.058064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.058064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.058064 (E_RNA) where: Base-Base interactions energy: -13.301 where: short stacking energy: -13.301 Base-Backbone interact. energy: -0.000 local terms energy: -29.757035 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: -4.023 tors. eta vs tors. theta energy: -7.242 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: 8 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -35.167680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.167680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.167680 (E_RNA) where: Base-Base interactions energy: -8.381 where: short stacking energy: -8.381 Base-Backbone interact. energy: -0.026 local terms energy: -26.760546 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.003 flat angles P-C4'-P energy: -5.861 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: 5 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -36.479378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.479378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.479378 (E_RNA) where: Base-Base interactions energy: -11.301 where: short stacking energy: -11.301 Base-Backbone interact. energy: -0.004 local terms energy: -25.174655 where: bonds (distance) C4'-P energy: -5.364 bonds (distance) P-C4' energy: -6.603 flat angles C4'-P-C4' energy: -4.633 flat angles P-C4'-P energy: -4.410 tors. eta vs tors. theta energy: -4.165 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: 95 Temperature: 1.050000 Total energy: -33.753611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.753611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.753611 (E_RNA) where: Base-Base interactions energy: -11.929 where: short stacking energy: -11.929 Base-Backbone interact. energy: -0.080 local terms energy: -21.745181 where: bonds (distance) C4'-P energy: -4.793 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.266 flat angles P-C4'-P energy: -3.832 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: 9 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -31.892974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.892974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.892974 (E_RNA) where: Base-Base interactions energy: -6.405 where: short stacking energy: -6.405 Base-Backbone interact. energy: -0.020 local terms energy: -25.467553 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.516 flat angles P-C4'-P energy: -3.746 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: 6, replica: 7 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -37.189124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.189124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.189124 (E_RNA) where: Base-Base interactions energy: -7.657 where: short stacking energy: -7.657 Base-Backbone interact. energy: -0.001 local terms energy: -29.530928 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.994 flat angles P-C4'-P energy: -5.651 tors. eta vs tors. theta energy: -3.169 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: 1 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -30.491261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.491261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.491261 (E_RNA) where: Base-Base interactions energy: -7.824 where: short stacking energy: -7.824 Base-Backbone interact. energy: -0.061 local terms energy: -22.606010 where: bonds (distance) C4'-P energy: -5.487 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.446 flat angles P-C4'-P energy: -2.737 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: 8, replica: 2 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -29.120766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.120766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.120766 (E_RNA) where: Base-Base interactions energy: -6.472 where: short stacking energy: -6.472 Base-Backbone interact. energy: -0.075 local terms energy: -22.574636 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -6.483 flat angles P-C4'-P energy: -3.321 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: 9, replica: 3 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -28.347985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.347985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.347985 (E_RNA) where: Base-Base interactions energy: -3.974 where: short stacking energy: -3.362 Base-Backbone interact. energy: -0.006 local terms energy: -24.368147 where: bonds (distance) C4'-P energy: -4.403 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -5.173 flat angles P-C4'-P energy: -4.793 tors. eta vs tors. theta energy: -3.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -29.412698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.412698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.412698 (E_RNA) where: Base-Base interactions energy: -2.052 where: short stacking energy: -2.052 Base-Backbone interact. energy: -0.217 local terms energy: -27.143986 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.559 flat angles P-C4'-P energy: -3.378 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: 96 Temperature: 0.900000 Total energy: -40.302907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.302907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.302907 (E_RNA) where: Base-Base interactions energy: -14.639 where: short stacking energy: -14.639 Base-Backbone interact. energy: -0.094 local terms energy: -25.569608 where: bonds (distance) C4'-P energy: -5.281 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.710 flat angles P-C4'-P energy: -3.859 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: 2, replica: 6 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -44.318054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.318054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.318054 (E_RNA) where: Base-Base interactions energy: -13.839 where: short stacking energy: -12.204 Base-Backbone interact. energy: -0.000 local terms energy: -30.479130 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -6.805 flat angles P-C4'-P energy: -4.654 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: 3, replica: 10 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -35.193979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.193979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.193979 (E_RNA) where: Base-Base interactions energy: -11.380 where: short stacking energy: -11.380 Base-Backbone interact. energy: -0.073 local terms energy: -23.741262 where: bonds (distance) C4'-P energy: -4.323 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -7.429 flat angles P-C4'-P energy: -4.472 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: 4, replica: 5 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -35.045360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.045360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.045360 (E_RNA) where: Base-Base interactions energy: -6.499 where: short stacking energy: -6.499 Base-Backbone interact. energy: -0.001 local terms energy: -28.545426 where: bonds (distance) C4'-P energy: -5.380 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -5.133 flat angles P-C4'-P energy: -5.501 tors. eta vs tors. theta energy: -4.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -30.607215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.607215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.607215 (E_RNA) where: Base-Base interactions energy: -4.696 where: short stacking energy: -4.696 Base-Backbone interact. energy: -0.000 local terms energy: -25.911113 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -5.751 flat angles P-C4'-P energy: -4.716 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: 6, replica: 9 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -31.214889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.214889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.214889 (E_RNA) where: Base-Base interactions energy: -3.736 where: short stacking energy: -3.736 Base-Backbone interact. energy: -0.098 local terms energy: -27.380922 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -7.592 flat angles P-C4'-P energy: -3.218 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: 7, replica: 2 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -29.557632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.557632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.557632 (E_RNA) where: Base-Base interactions energy: -5.864 where: short stacking energy: -5.864 Base-Backbone interact. energy: -0.002 local terms energy: -23.691136 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.430 flat angles P-C4'-P energy: -4.699 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: 8, replica: 1 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -27.665699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.665699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.665699 (E_RNA) where: Base-Base interactions energy: -1.941 where: short stacking energy: -1.941 Base-Backbone interact. energy: -0.024 local terms energy: -25.700634 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -7.806 flat angles C4'-P-C4' energy: -5.714 flat angles P-C4'-P energy: -3.597 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: 9, replica: 4 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -30.179395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.179395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.179395 (E_RNA) where: Base-Base interactions energy: -7.103 where: short stacking energy: -7.103 Base-Backbone interact. energy: -0.130 local terms energy: -22.946569 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.814 flat angles C4'-P-C4' energy: -5.506 flat angles P-C4'-P energy: -3.770 tors. eta vs tors. theta energy: -0.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -27.222491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.222491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.222491 (E_RNA) where: Base-Base interactions energy: -5.093 where: short stacking energy: -5.093 Base-Backbone interact. energy: -0.000 local terms energy: -22.129111 where: bonds (distance) C4'-P energy: -5.848 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -6.447 flat angles P-C4'-P energy: -0.841 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: 8 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -38.566503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.566503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.566503 (E_RNA) where: Base-Base interactions energy: -13.549 where: short stacking energy: -13.549 Base-Backbone interact. energy: 0.694 local terms energy: -25.711650 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -4.864 flat angles P-C4'-P energy: -5.253 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: 2, replica: 10 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -34.272831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.272831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.272831 (E_RNA) where: Base-Base interactions energy: -8.600 where: short stacking energy: -8.600 Base-Backbone interact. energy: -0.004 local terms energy: -25.668337 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -6.745 flat angles P-C4'-P energy: -5.035 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: 3, replica: 6 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -37.659564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.659564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.659564 (E_RNA) where: Base-Base interactions energy: -10.433 where: short stacking energy: -9.685 Base-Backbone interact. energy: -0.060 local terms energy: -27.166839 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -5.828 flat angles P-C4'-P energy: -5.658 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: 4, replica: 5 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -37.383562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.383562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.383562 (E_RNA) where: Base-Base interactions energy: -12.749 where: short stacking energy: -12.749 Base-Backbone interact. energy: -0.000 local terms energy: -24.634047 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.652 flat angles P-C4'-P energy: -3.423 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: 5, replica: 7 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -41.607609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.607609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.607609 (E_RNA) where: Base-Base interactions energy: -13.054 where: short stacking energy: -13.054 Base-Backbone interact. energy: -0.001 local terms energy: -28.552453 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.554 flat angles P-C4'-P energy: -5.700 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: 6, replica: 2 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -31.679424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.679424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.679424 (E_RNA) where: Base-Base interactions energy: -11.018 where: short stacking energy: -11.018 Base-Backbone interact. energy: -0.152 local terms energy: -20.509850 where: bonds (distance) C4'-P energy: -2.858 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -4.235 flat angles P-C4'-P energy: -5.213 tors. eta vs tors. theta energy: -1.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -36.464760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.464760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.464760 (E_RNA) where: Base-Base interactions energy: -6.014 where: short stacking energy: -6.014 Base-Backbone interact. energy: -0.000 local terms energy: -30.450987 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.816 flat angles P-C4'-P energy: -5.656 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: 8, replica: 4 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -32.231076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.231076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.231076 (E_RNA) where: Base-Base interactions energy: -9.171 where: short stacking energy: -9.171 Base-Backbone interact. energy: 0.014 local terms energy: -23.073751 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -6.319 flat angles P-C4'-P energy: -4.529 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: 9, replica: 1 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -26.046606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.046606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.046606 (E_RNA) where: Base-Base interactions energy: -9.379 where: short stacking energy: -9.379 Base-Backbone interact. energy: -0.025 local terms energy: -16.642778 where: bonds (distance) C4'-P energy: -1.877 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.806 flat angles P-C4'-P energy: -2.162 tors. eta vs tors. theta energy: 1.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -34.413384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.413384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.413384 (E_RNA) where: Base-Base interactions energy: -8.560 where: short stacking energy: -8.560 Base-Backbone interact. energy: -0.023 local terms energy: -25.830263 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -4.259 flat angles P-C4'-P energy: -3.834 tors. eta vs tors. theta energy: -3.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -37.542512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.542512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.542512 (E_RNA) where: Base-Base interactions energy: -10.267 where: short stacking energy: -10.267 Base-Backbone interact. energy: -0.005 local terms energy: -27.270311 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.691 flat angles P-C4'-P energy: -2.994 tors. eta vs tors. theta energy: -4.418 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: 10 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -36.636070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.636070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.636070 (E_RNA) where: Base-Base interactions energy: -9.396 where: short stacking energy: -9.396 Base-Backbone interact. energy: -0.099 local terms energy: -27.140829 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -4.137 tors. eta vs tors. theta energy: -1.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -39.331812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.331812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.331812 (E_RNA) where: Base-Base interactions energy: -12.572 where: short stacking energy: -12.542 Base-Backbone interact. energy: -0.094 local terms energy: -26.666017 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.075 flat angles C4'-P-C4' energy: -7.041 flat angles P-C4'-P energy: -4.603 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: 4, replica: 6 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -37.688367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.688367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.688367 (E_RNA) where: Base-Base interactions energy: -14.978 where: short stacking energy: -14.978 Base-Backbone interact. energy: -0.001 local terms energy: -22.709551 where: bonds (distance) C4'-P energy: -4.610 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -4.794 flat angles P-C4'-P energy: -2.220 tors. eta vs tors. theta energy: -3.989 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: 2 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -34.606879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.606879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.606879 (E_RNA) where: Base-Base interactions energy: -5.954 where: short stacking energy: -6.454 Base-Backbone interact. energy: -0.172 local terms energy: -28.480783 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -7.407 flat angles P-C4'-P energy: -5.003 tors. eta vs tors. theta energy: -2.127 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: 7 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -35.242742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.242742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.242742 (E_RNA) where: Base-Base interactions energy: -10.498 where: short stacking energy: -10.498 Base-Backbone interact. energy: -0.007 local terms energy: -24.737071 where: bonds (distance) C4'-P energy: -5.935 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.257 flat angles P-C4'-P energy: -4.135 tors. eta vs tors. theta energy: -0.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -31.044483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.044483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.044483 (E_RNA) where: Base-Base interactions energy: -10.914 where: short stacking energy: -10.914 Base-Backbone interact. energy: -0.126 local terms energy: -20.004724 where: bonds (distance) C4'-P energy: -4.013 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -6.594 flat angles P-C4'-P energy: -2.548 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: 9 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -30.973207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.973207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.973207 (E_RNA) where: Base-Base interactions energy: -7.161 where: short stacking energy: -7.161 Base-Backbone interact. energy: -0.012 local terms energy: -23.800328 where: bonds (distance) C4'-P energy: -3.584 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -4.753 flat angles P-C4'-P energy: -5.165 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: 3 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -31.645879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.645879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.645879 (E_RNA) where: Base-Base interactions energy: -8.474 where: short stacking energy: -8.474 Base-Backbone interact. energy: -0.013 local terms energy: -23.158693 where: bonds (distance) C4'-P energy: -3.459 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -5.075 flat angles P-C4'-P energy: -4.334 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: 10, replica: 1 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -28.157594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.157594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.157594 (E_RNA) where: Base-Base interactions energy: -6.215 where: short stacking energy: -6.215 Base-Backbone interact. energy: -0.032 local terms energy: -21.910877 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -6.813 flat angles P-C4'-P energy: 0.248 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: 1, replica: 8 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -40.972813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.972813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.972813 (E_RNA) where: Base-Base interactions energy: -14.968 where: short stacking energy: -14.968 Base-Backbone interact. energy: -0.000 local terms energy: -26.004565 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.526 flat angles C4'-P-C4' energy: -6.902 flat angles P-C4'-P energy: -4.340 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: 2, replica: 5 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -38.502932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.502932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.502932 (E_RNA) where: Base-Base interactions energy: -12.616 where: short stacking energy: -12.616 Base-Backbone interact. energy: -1.048 local terms energy: -24.839195 where: bonds (distance) C4'-P energy: -5.707 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -6.133 flat angles P-C4'-P energy: -3.614 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: 3, replica: 10 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -34.325046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.325046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.325046 (E_RNA) where: Base-Base interactions energy: -9.881 where: short stacking energy: -9.881 Base-Backbone interact. energy: -0.004 local terms energy: -24.440164 where: bonds (distance) C4'-P energy: -4.979 bonds (distance) P-C4' energy: -3.259 flat angles C4'-P-C4' energy: -7.316 flat angles P-C4'-P energy: -4.235 tors. eta vs tors. theta energy: -4.652 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: 2 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -34.807264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.807264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.807264 (E_RNA) where: Base-Base interactions energy: -10.223 where: short stacking energy: -10.223 Base-Backbone interact. energy: -0.005 local terms energy: -24.579365 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.094 flat angles P-C4'-P energy: -4.755 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: 5, replica: 6 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -35.301080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.301080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.301080 (E_RNA) where: Base-Base interactions energy: -9.368 where: short stacking energy: -9.368 Base-Backbone interact. energy: -0.097 local terms energy: -25.835952 where: bonds (distance) C4'-P energy: -7.032 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.845 flat angles P-C4'-P energy: -2.462 tors. eta vs tors. theta energy: -3.153 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: 4 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -36.060590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.060590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.060590 (E_RNA) where: Base-Base interactions energy: -12.236 where: short stacking energy: -12.236 Base-Backbone interact. energy: -0.093 local terms energy: -23.731853 where: bonds (distance) C4'-P energy: -5.715 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.120 flat angles P-C4'-P energy: -2.791 tors. eta vs tors. theta energy: -4.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -33.172195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.172195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.172195 (E_RNA) where: Base-Base interactions energy: -8.620 where: short stacking energy: -8.620 Base-Backbone interact. energy: -0.199 local terms energy: -24.354152 where: bonds (distance) C4'-P energy: -3.695 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -6.480 flat angles P-C4'-P energy: -5.795 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: 8, replica: 3 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -28.926378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.926378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.926378 (E_RNA) where: Base-Base interactions energy: -8.353 where: short stacking energy: -8.353 Base-Backbone interact. energy: -0.074 local terms energy: -20.499128 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: -1.859 tors. eta vs tors. theta energy: 0.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -31.295617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.295617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.295617 (E_RNA) where: Base-Base interactions energy: -7.147 where: short stacking energy: -5.919 Base-Backbone interact. energy: -0.025 local terms energy: -24.123711 where: bonds (distance) C4'-P energy: -6.924 bonds (distance) P-C4' energy: -5.553 flat angles C4'-P-C4' energy: -6.332 flat angles P-C4'-P energy: -5.755 tors. eta vs tors. theta energy: 0.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -29.390907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.390907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.390907 (E_RNA) where: Base-Base interactions energy: -4.828 where: short stacking energy: -4.828 Base-Backbone interact. energy: -0.005 local terms energy: -24.557702 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -3.152 tors. eta vs tors. theta energy: -1.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -33.586945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.586945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.586945 (E_RNA) where: Base-Base interactions energy: -7.849 where: short stacking energy: -7.849 Base-Backbone interact. energy: -0.017 local terms energy: -25.721124 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.528 flat angles P-C4'-P energy: -5.929 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: 2, replica: 8 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -40.987541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.987541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.987541 (E_RNA) where: Base-Base interactions energy: -15.368 where: short stacking energy: -15.368 Base-Backbone interact. energy: -0.001 local terms energy: -25.618630 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.094 flat angles P-C4'-P energy: -2.511 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: 3, replica: 2 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -42.468392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.468392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.468392 (E_RNA) where: Base-Base interactions energy: -12.863 where: short stacking energy: -12.863 Base-Backbone interact. energy: -0.000 local terms energy: -29.605247 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -5.772 flat angles C4'-P-C4' energy: -6.769 flat angles P-C4'-P energy: -5.309 tors. eta vs tors. theta energy: -4.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -34.347806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.347806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.347806 (E_RNA) where: Base-Base interactions energy: -11.057 where: short stacking energy: -11.057 Base-Backbone interact. energy: -0.002 local terms energy: -23.288111 where: bonds (distance) C4'-P energy: -4.648 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.823 flat angles P-C4'-P energy: -5.083 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: 5, replica: 4 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -32.643234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.643234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.643234 (E_RNA) where: Base-Base interactions energy: -8.256 where: short stacking energy: -8.256 Base-Backbone interact. energy: -0.119 local terms energy: -24.268108 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -4.516 flat angles P-C4'-P energy: -4.110 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: 6 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -34.194347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.194347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.194347 (E_RNA) where: Base-Base interactions energy: -6.217 where: short stacking energy: -6.217 Base-Backbone interact. energy: -0.071 local terms energy: -27.905843 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.203 flat angles P-C4'-P energy: -4.485 tors. eta vs tors. theta energy: -2.923 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: 3 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -32.046553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.046553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.046553 (E_RNA) where: Base-Base interactions energy: -9.220 where: short stacking energy: -9.220 Base-Backbone interact. energy: -0.018 local terms energy: -22.808165 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -5.047 flat angles C4'-P-C4' energy: -6.116 flat angles P-C4'-P energy: -4.424 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: 8, replica: 7 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -33.829460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.829460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.829460 (E_RNA) where: Base-Base interactions energy: -6.596 where: short stacking energy: -6.596 Base-Backbone interact. energy: -0.008 local terms energy: -27.225618 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.200 flat angles P-C4'-P energy: -6.138 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: 9, replica: 1 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -29.532653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.532653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.532653 (E_RNA) where: Base-Base interactions energy: -6.765 where: short stacking energy: -6.765 Base-Backbone interact. energy: -0.011 local terms energy: -22.756190 where: bonds (distance) C4'-P energy: -5.558 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -6.657 flat angles P-C4'-P energy: -5.275 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: 10, replica: 9 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -28.607952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.607952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.607952 (E_RNA) where: Base-Base interactions energy: -3.777 where: short stacking energy: -3.760 Base-Backbone interact. energy: -0.100 local terms energy: -24.730547 where: bonds (distance) C4'-P energy: -5.087 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -7.063 flat angles P-C4'-P energy: -4.418 tors. eta vs tors. theta energy: -1.308 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: 5 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -38.659703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.659703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.659703 (E_RNA) where: Base-Base interactions energy: -13.289 where: short stacking energy: -11.700 Base-Backbone interact. energy: -0.001 local terms energy: -25.369581 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.228 flat angles P-C4'-P energy: -5.122 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: 2, replica: 2 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -36.826185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.826185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.826185 (E_RNA) where: Base-Base interactions energy: -11.171 where: short stacking energy: -11.171 Base-Backbone interact. energy: -0.111 local terms energy: -25.544078 where: bonds (distance) C4'-P energy: -4.581 bonds (distance) P-C4' energy: -6.266 flat angles C4'-P-C4' energy: -6.871 flat angles P-C4'-P energy: -6.044 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: 3, replica: 8 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -34.049353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.049353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.049353 (E_RNA) where: Base-Base interactions energy: -5.911 where: short stacking energy: -5.911 Base-Backbone interact. energy: -0.044 local terms energy: -28.094480 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.253 flat angles P-C4'-P energy: -5.951 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: 4, replica: 4 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -33.354166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.354166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.354166 (E_RNA) where: Base-Base interactions energy: -6.501 where: short stacking energy: -6.501 Base-Backbone interact. energy: -0.153 local terms energy: -26.700323 where: bonds (distance) C4'-P energy: -5.430 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -7.164 flat angles P-C4'-P energy: -5.495 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: 5, replica: 10 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -33.179257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.179257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.179257 (E_RNA) where: Base-Base interactions energy: -8.394 where: short stacking energy: -8.394 Base-Backbone interact. energy: -0.000 local terms energy: -24.785246 where: bonds (distance) C4'-P energy: -6.017 bonds (distance) P-C4' energy: -6.762 flat angles C4'-P-C4' energy: -3.711 flat angles P-C4'-P energy: -5.475 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: 6, replica: 3 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -39.922564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.922564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.922564 (E_RNA) where: Base-Base interactions energy: -13.259 where: short stacking energy: -13.259 Base-Backbone interact. energy: -0.050 local terms energy: -26.613824 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -5.685 flat angles C4'-P-C4' energy: -6.244 flat angles P-C4'-P energy: -3.554 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: 7, replica: 6 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -29.557405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.557405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.557405 (E_RNA) where: Base-Base interactions energy: -8.108 where: short stacking energy: -8.108 Base-Backbone interact. energy: -0.000 local terms energy: -21.449283 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -4.967 flat angles P-C4'-P energy: -5.692 tors. eta vs tors. theta energy: 2.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -28.105532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.105532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.105532 (E_RNA) where: Base-Base interactions energy: -7.068 where: short stacking energy: -7.068 Base-Backbone interact. energy: -0.000 local terms energy: -21.037697 where: bonds (distance) C4'-P energy: -5.719 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.252 flat angles P-C4'-P energy: -3.577 tors. eta vs tors. theta energy: -0.504 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: 7 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -25.451972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.451972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.451972 (E_RNA) where: Base-Base interactions energy: -4.048 where: short stacking energy: -4.048 Base-Backbone interact. energy: -0.067 local terms energy: -21.336974 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -3.337 flat angles P-C4'-P energy: -2.569 tors. eta vs tors. theta energy: -1.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -28.442501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.442501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.442501 (E_RNA) where: Base-Base interactions energy: -4.456 where: short stacking energy: -4.637 Base-Backbone interact. energy: -0.165 local terms energy: -23.822054 where: bonds (distance) C4'-P energy: -4.945 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -6.204 flat angles P-C4'-P energy: -4.266 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: 2 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -38.400245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.400245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.400245 (E_RNA) where: Base-Base interactions energy: -10.139 where: short stacking energy: -10.139 Base-Backbone interact. energy: -0.023 local terms energy: -28.238209 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.409 flat angles P-C4'-P energy: -5.086 tors. eta vs tors. theta energy: -3.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -42.081385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.081385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.081385 (E_RNA) where: Base-Base interactions energy: -13.161 where: short stacking energy: -11.904 Base-Backbone interact. energy: -0.008 local terms energy: -28.912007 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -5.951 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: 3, replica: 4 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -40.793295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.793295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.793295 (E_RNA) where: Base-Base interactions energy: -11.421 where: short stacking energy: -11.421 Base-Backbone interact. energy: -0.002 local terms energy: -29.370783 where: bonds (distance) C4'-P energy: -7.032 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.320 flat angles P-C4'-P energy: -5.272 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: 4, replica: 8 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -36.862197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.862197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.862197 (E_RNA) where: Base-Base interactions energy: -7.240 where: short stacking energy: -7.240 Base-Backbone interact. energy: -0.035 local terms energy: -29.587812 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -6.488 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: 5, replica: 10 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -30.466467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.466467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.466467 (E_RNA) where: Base-Base interactions energy: -7.092 where: short stacking energy: -7.092 Base-Backbone interact. energy: -0.000 local terms energy: -23.373942 where: bonds (distance) C4'-P energy: -4.569 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -4.216 flat angles P-C4'-P energy: -4.038 tors. eta vs tors. theta energy: -2.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -37.886782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.886782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.886782 (E_RNA) where: Base-Base interactions energy: -10.085 where: short stacking energy: -10.085 Base-Backbone interact. energy: -0.020 local terms energy: -27.781382 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -6.012 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: 7, replica: 1 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -29.888738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.888738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.888738 (E_RNA) where: Base-Base interactions energy: -8.044 where: short stacking energy: -8.044 Base-Backbone interact. energy: -0.183 local terms energy: -21.661666 where: bonds (distance) C4'-P energy: -4.986 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -5.051 flat angles P-C4'-P energy: -5.376 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: 8, replica: 6 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -31.323345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.323345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.323345 (E_RNA) where: Base-Base interactions energy: -9.266 where: short stacking energy: -9.266 Base-Backbone interact. energy: -0.040 local terms energy: -22.017210 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -6.002 flat angles P-C4'-P energy: -4.475 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: 9, replica: 9 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -26.366459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.366459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.366459 (E_RNA) where: Base-Base interactions energy: -2.159 where: short stacking energy: -2.159 Base-Backbone interact. energy: -0.103 local terms energy: -24.103773 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.667 flat angles P-C4'-P energy: -4.662 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: 10, replica: 7 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -30.589009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.589009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.589009 (E_RNA) where: Base-Base interactions energy: -7.835 where: short stacking energy: -7.835 Base-Backbone interact. energy: -0.009 local terms energy: -22.744496 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.432 flat angles P-C4'-P energy: -2.832 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: 1, replica: 2 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -33.906393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.906393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.906393 (E_RNA) where: Base-Base interactions energy: -10.813 where: short stacking energy: -10.813 Base-Backbone interact. energy: -0.002 local terms energy: -23.090984 where: bonds (distance) C4'-P energy: -5.380 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.479 flat angles P-C4'-P energy: -2.190 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: 2, replica: 4 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -36.371498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.371498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.371498 (E_RNA) where: Base-Base interactions energy: -11.502 where: short stacking energy: -11.502 Base-Backbone interact. energy: -0.000 local terms energy: -24.869110 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -5.356 flat angles P-C4'-P energy: -4.738 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: 103 Temperature: 1.000000 Total energy: -35.227402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.227402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.227402 (E_RNA) where: Base-Base interactions energy: -9.769 where: short stacking energy: -9.769 Base-Backbone interact. energy: -0.000 local terms energy: -25.457661 where: bonds (distance) C4'-P energy: -3.984 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -6.394 flat angles P-C4'-P energy: -5.519 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: 4, replica: 10 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -36.285137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.285137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.285137 (E_RNA) where: Base-Base interactions energy: -10.145 where: short stacking energy: -10.145 Base-Backbone interact. energy: 0.260 local terms energy: -26.400866 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.162 flat angles P-C4'-P energy: -5.021 tors. eta vs tors. theta energy: -0.635 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: 8 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -31.184813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.184813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.184813 (E_RNA) where: Base-Base interactions energy: -7.229 where: short stacking energy: -7.229 Base-Backbone interact. energy: -0.002 local terms energy: -23.953433 where: bonds (distance) C4'-P energy: -4.188 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.264 flat angles P-C4'-P energy: -3.252 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: 6, replica: 3 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -34.018846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.018846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.018846 (E_RNA) where: Base-Base interactions energy: -7.828 where: short stacking energy: -7.828 Base-Backbone interact. energy: -0.091 local terms energy: -26.100304 where: bonds (distance) C4'-P energy: -6.588 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -4.810 flat angles P-C4'-P energy: -5.687 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: 7, replica: 1 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -28.830690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.830690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.830690 (E_RNA) where: Base-Base interactions energy: -5.717 where: short stacking energy: -5.717 Base-Backbone interact. energy: -0.121 local terms energy: -22.992292 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -6.988 flat angles P-C4'-P energy: -4.834 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: 8, replica: 9 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -30.973155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.973155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.973155 (E_RNA) where: Base-Base interactions energy: -10.398 where: short stacking energy: -10.398 Base-Backbone interact. energy: -0.105 local terms energy: -20.469426 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.765 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -2.678 tors. eta vs tors. theta energy: 0.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -28.955660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.955660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.955660 (E_RNA) where: Base-Base interactions energy: -7.302 where: short stacking energy: -7.302 Base-Backbone interact. energy: -0.074 local terms energy: -21.579328 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -6.893 flat angles P-C4'-P energy: -3.155 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: 10, replica: 7 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -29.722296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.722296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.722296 (E_RNA) where: Base-Base interactions energy: -7.393 where: short stacking energy: -7.393 Base-Backbone interact. energy: -0.009 local terms energy: -22.319503 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.519 flat angles P-C4'-P energy: -1.699 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: 4 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -35.954778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.954778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.954778 (E_RNA) where: Base-Base interactions energy: -12.656 where: short stacking energy: -12.656 Base-Backbone interact. energy: -0.187 local terms energy: -23.111332 where: bonds (distance) C4'-P energy: -6.009 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -4.852 flat angles P-C4'-P energy: -5.027 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: 2, replica: 2 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -41.971101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.971101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.971101 (E_RNA) where: Base-Base interactions energy: -15.642 where: short stacking energy: -10.883 Base-Backbone interact. energy: -0.016 local terms energy: -26.313168 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -5.989 flat angles P-C4'-P energy: -4.616 tors. eta vs tors. theta energy: -2.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -41.500331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.500331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.500331 (E_RNA) where: Base-Base interactions energy: -14.953 where: short stacking energy: -14.953 Base-Backbone interact. energy: -0.003 local terms energy: -26.544806 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.274 flat angles P-C4'-P energy: -3.908 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: 4, replica: 5 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -33.628925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.628925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.628925 (E_RNA) where: Base-Base interactions energy: -8.847 where: short stacking energy: -8.847 Base-Backbone interact. energy: -0.047 local terms energy: -24.735133 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -5.532 flat angles C4'-P-C4' energy: -5.960 flat angles P-C4'-P energy: -3.230 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: 5, replica: 3 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -32.173867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.173867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.173867 (E_RNA) where: Base-Base interactions energy: -7.038 where: short stacking energy: -7.038 Base-Backbone interact. energy: -0.030 local terms energy: -25.105880 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.731 flat angles C4'-P-C4' energy: -6.414 flat angles P-C4'-P energy: -4.036 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: 6, replica: 8 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -34.541904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.541904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.541904 (E_RNA) where: Base-Base interactions energy: -12.599 where: short stacking energy: -12.599 Base-Backbone interact. energy: -0.000 local terms energy: -21.942440 where: bonds (distance) C4'-P energy: -5.555 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -5.984 flat angles P-C4'-P energy: -2.125 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: 7, replica: 9 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -29.591653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.591653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.591653 (E_RNA) where: Base-Base interactions energy: -8.697 where: short stacking energy: -8.499 Base-Backbone interact. energy: -0.558 local terms energy: -20.335839 where: bonds (distance) C4'-P energy: -4.858 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -5.327 flat angles P-C4'-P energy: -2.607 tors. eta vs tors. theta energy: -1.073 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: 8, replica: 1 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -30.714454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.714454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.714454 (E_RNA) where: Base-Base interactions energy: -8.389 where: short stacking energy: -8.389 Base-Backbone interact. energy: -0.078 local terms energy: -22.247666 where: bonds (distance) C4'-P energy: -5.927 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.775 flat angles P-C4'-P energy: -4.273 tors. eta vs tors. theta energy: 1.526 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: 7 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -26.440483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.440483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.440483 (E_RNA) where: Base-Base interactions energy: -3.188 where: short stacking energy: -2.454 Base-Backbone interact. energy: -0.000 local terms energy: -23.252662 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -4.448 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: 10, replica: 6 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -36.753515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.753515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.753515 (E_RNA) where: Base-Base interactions energy: -10.667 where: short stacking energy: -10.667 Base-Backbone interact. energy: -0.007 local terms energy: -26.079699 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -6.308 flat angles C4'-P-C4' energy: -5.952 flat angles P-C4'-P energy: -4.874 tors. eta vs tors. theta energy: -3.069 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: 1, replica: 4 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -36.492096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.492096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.492096 (E_RNA) where: Base-Base interactions energy: -9.417 where: short stacking energy: -9.417 Base-Backbone interact. energy: -0.000 local terms energy: -27.074594 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.103 flat angles C4'-P-C4' energy: -7.340 flat angles P-C4'-P energy: -4.928 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: 2, replica: 2 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -34.809167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.809167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.809167 (E_RNA) where: Base-Base interactions energy: -10.341 where: short stacking energy: -10.341 Base-Backbone interact. energy: -0.061 local terms energy: -24.407602 where: bonds (distance) C4'-P energy: -6.482 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.897 flat angles P-C4'-P energy: -3.966 tors. eta vs tors. theta energy: -0.507 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: 10 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -36.017843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.017843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.017843 (E_RNA) where: Base-Base interactions energy: -12.527 where: short stacking energy: -12.527 Base-Backbone interact. energy: -0.093 local terms energy: -23.397872 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.072 flat angles P-C4'-P energy: -2.150 tors. eta vs tors. theta energy: -1.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -35.635829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.635829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.635829 (E_RNA) where: Base-Base interactions energy: -6.170 where: short stacking energy: -6.170 Base-Backbone interact. energy: -0.039 local terms energy: -29.426671 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -4.589 flat angles P-C4'-P energy: -5.950 tors. eta vs tors. theta energy: -4.323 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: 5 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -32.239715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.239715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.239715 (E_RNA) where: Base-Base interactions energy: -6.582 where: short stacking energy: -6.582 Base-Backbone interact. energy: -0.550 local terms energy: -25.108229 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -5.414 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -5.447 tors. eta vs tors. theta energy: -3.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -31.689301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.689301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.689301 (E_RNA) where: Base-Base interactions energy: -8.543 where: short stacking energy: -8.280 Base-Backbone interact. energy: -0.006 local terms energy: -23.140468 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.216 flat angles P-C4'-P energy: -3.373 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: 7, replica: 8 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -31.303126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.303126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.303126 (E_RNA) where: Base-Base interactions energy: -5.955 where: short stacking energy: -5.955 Base-Backbone interact. energy: -0.000 local terms energy: -25.348332 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.231 flat angles P-C4'-P energy: -3.349 tors. eta vs tors. theta energy: -1.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -30.167993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.167993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.167993 (E_RNA) where: Base-Base interactions energy: -13.439 where: short stacking energy: -13.439 Base-Backbone interact. energy: -0.001 local terms energy: -16.727405 where: bonds (distance) C4'-P energy: -4.697 bonds (distance) P-C4' energy: -4.265 flat angles C4'-P-C4' energy: -5.099 flat angles P-C4'-P energy: -1.015 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: 9, replica: 1 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -28.863095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.863095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.863095 (E_RNA) where: Base-Base interactions energy: -8.167 where: short stacking energy: -8.142 Base-Backbone interact. energy: -0.081 local terms energy: -20.615898 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.679 flat angles P-C4'-P energy: -2.310 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: 10, replica: 6 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -29.095686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.095686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.095686 (E_RNA) where: Base-Base interactions energy: -7.981 where: short stacking energy: -7.981 Base-Backbone interact. energy: -0.136 local terms energy: -20.978897 where: bonds (distance) C4'-P energy: -4.809 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.981 flat angles P-C4'-P energy: -3.961 tors. eta vs tors. theta energy: 0.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -39.320494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.320494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.320494 (E_RNA) where: Base-Base interactions energy: -11.529 where: short stacking energy: -11.529 Base-Backbone interact. energy: -1.019 local terms energy: -26.772476 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -5.554 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -4.648 tors. eta vs tors. theta energy: -3.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -39.139649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.139649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.139649 (E_RNA) where: Base-Base interactions energy: -9.455 where: short stacking energy: -9.455 Base-Backbone interact. energy: -0.000 local terms energy: -29.684494 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.504 flat angles P-C4'-P energy: -2.362 tors. eta vs tors. theta energy: -5.708 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: 3, replica: 10 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -38.293990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.293990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.293990 (E_RNA) where: Base-Base interactions energy: -7.794 where: short stacking energy: -6.872 Base-Backbone interact. energy: -0.000 local terms energy: -30.499566 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.355 flat angles P-C4'-P energy: -5.010 tors. eta vs tors. theta energy: -5.250 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: 4, replica: 3 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -37.873804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.873804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.873804 (E_RNA) where: Base-Base interactions energy: -10.385 where: short stacking energy: -10.385 Base-Backbone interact. energy: -0.000 local terms energy: -27.488873 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.209 flat angles P-C4'-P energy: -4.790 tors. eta vs tors. theta energy: -2.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -31.597924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.597924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.597924 (E_RNA) where: Base-Base interactions energy: -8.211 where: short stacking energy: -8.211 Base-Backbone interact. energy: 0.495 local terms energy: -23.881916 where: bonds (distance) C4'-P energy: -4.208 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.000 flat angles P-C4'-P energy: -2.333 tors. eta vs tors. theta energy: -2.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -32.390407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.390407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.390407 (E_RNA) where: Base-Base interactions energy: -7.405 where: short stacking energy: -7.405 Base-Backbone interact. energy: -0.016 local terms energy: -24.969461 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -3.896 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: 7, replica: 7 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -33.343580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.343580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.343580 (E_RNA) where: Base-Base interactions energy: -8.456 where: short stacking energy: -8.456 Base-Backbone interact. energy: -0.004 local terms energy: -24.883859 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -4.006 flat angles P-C4'-P energy: -3.965 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: 8 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -30.944185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.944185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.944185 (E_RNA) where: Base-Base interactions energy: -4.248 where: short stacking energy: -4.248 Base-Backbone interact. energy: -0.000 local terms energy: -26.695794 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.161 flat angles P-C4'-P energy: -3.003 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: 9, replica: 6 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -28.715397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.715397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.715397 (E_RNA) where: Base-Base interactions energy: -11.755 where: short stacking energy: -10.481 Base-Backbone interact. energy: -0.049 local terms energy: -16.911267 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -4.505 flat angles C4'-P-C4' energy: -4.965 flat angles P-C4'-P energy: -0.918 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: 10, replica: 1 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -33.542294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.542294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.542294 (E_RNA) where: Base-Base interactions energy: -12.946 where: short stacking energy: -10.815 Base-Backbone interact. energy: -0.000 local terms energy: -20.596315 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -3.194 flat angles C4'-P-C4' energy: -2.695 flat angles P-C4'-P energy: -4.822 tors. eta vs tors. theta energy: -4.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -37.423975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.423975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.423975 (E_RNA) where: Base-Base interactions energy: -6.724 where: short stacking energy: -6.724 Base-Backbone interact. energy: -0.001 local terms energy: -30.698912 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -7.038 flat angles P-C4'-P energy: -5.228 tors. eta vs tors. theta energy: -4.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -37.952600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.952600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.952600 (E_RNA) where: Base-Base interactions energy: -6.454 where: short stacking energy: -2.932 Base-Backbone interact. energy: -0.684 local terms energy: -30.814570 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.633 flat angles P-C4'-P energy: -5.459 tors. eta vs tors. theta energy: -5.245 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: 4 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -35.406495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.406495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.406495 (E_RNA) where: Base-Base interactions energy: -13.512 where: short stacking energy: -13.512 Base-Backbone interact. energy: -0.089 local terms energy: -21.805300 where: bonds (distance) C4'-P energy: -3.604 bonds (distance) P-C4' energy: -5.477 flat angles C4'-P-C4' energy: -5.913 flat angles P-C4'-P energy: -3.390 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: 4, replica: 5 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -31.632838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.632838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.632838 (E_RNA) where: Base-Base interactions energy: -9.030 where: short stacking energy: -9.030 Base-Backbone interact. energy: 0.091 local terms energy: -22.692976 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.458 flat angles C4'-P-C4' energy: -5.710 flat angles P-C4'-P energy: -3.760 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: 5, replica: 3 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -35.412823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.412823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.412823 (E_RNA) where: Base-Base interactions energy: -10.365 where: short stacking energy: -10.681 Base-Backbone interact. energy: -0.020 local terms energy: -25.027190 where: bonds (distance) C4'-P energy: -6.005 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.768 flat angles P-C4'-P energy: -3.953 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: 6, replica: 7 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -29.528391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.528391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.528391 (E_RNA) where: Base-Base interactions energy: -7.686 where: short stacking energy: -7.686 Base-Backbone interact. energy: 0.401 local terms energy: -22.244269 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.556 flat angles P-C4'-P energy: -5.328 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: 7, replica: 9 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -34.999915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.999915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.999915 (E_RNA) where: Base-Base interactions energy: -11.720 where: short stacking energy: -11.720 Base-Backbone interact. energy: -0.000 local terms energy: -23.280201 where: bonds (distance) C4'-P energy: -1.439 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.061 flat angles P-C4'-P energy: -4.034 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: 8, replica: 6 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -31.953417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.953417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.953417 (E_RNA) where: Base-Base interactions energy: -11.028 where: short stacking energy: -11.028 Base-Backbone interact. energy: -0.000 local terms energy: -20.924756 where: bonds (distance) C4'-P energy: -4.472 bonds (distance) P-C4' energy: -5.855 flat angles C4'-P-C4' energy: -4.707 flat angles P-C4'-P energy: -3.101 tors. eta vs tors. theta energy: -2.790 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: 8 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -29.340952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.340952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.340952 (E_RNA) where: Base-Base interactions energy: -6.693 where: short stacking energy: -6.693 Base-Backbone interact. energy: -0.000 local terms energy: -22.647963 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -6.867 flat angles P-C4'-P energy: -0.370 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: 1 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -30.655996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.655996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.655996 (E_RNA) where: Base-Base interactions energy: -11.188 where: short stacking energy: -11.188 Base-Backbone interact. energy: -0.095 local terms energy: -19.372162 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -3.279 flat angles P-C4'-P energy: -2.942 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: 1, replica: 10 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -36.866883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.866883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.866883 (E_RNA) where: Base-Base interactions energy: -12.332 where: short stacking energy: -12.332 Base-Backbone interact. energy: -0.000 local terms energy: -24.535359 where: bonds (distance) C4'-P energy: -5.814 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -4.372 flat angles P-C4'-P energy: -6.062 tors. eta vs tors. theta energy: -0.943 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: 2 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -39.065069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.065069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.065069 (E_RNA) where: Base-Base interactions energy: -11.407 where: short stacking energy: -11.407 Base-Backbone interact. energy: -0.001 local terms energy: -27.656561 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.378 flat angles P-C4'-P energy: -5.131 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: 3, replica: 5 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -30.832396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.832396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.832396 (E_RNA) where: Base-Base interactions energy: -6.657 where: short stacking energy: -6.657 Base-Backbone interact. energy: -0.077 local terms energy: -24.098734 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.656 flat angles P-C4'-P energy: -2.571 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: 4, replica: 4 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -32.375011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.375011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.375011 (E_RNA) where: Base-Base interactions energy: -7.429 where: short stacking energy: -7.429 Base-Backbone interact. energy: 0.368 local terms energy: -25.313978 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.019 flat angles C4'-P-C4' energy: -5.367 flat angles P-C4'-P energy: -3.435 tors. eta vs tors. theta energy: -3.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -32.153598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.153598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.153598 (E_RNA) where: Base-Base interactions energy: -10.854 where: short stacking energy: -10.854 Base-Backbone interact. energy: -0.004 local terms energy: -21.296071 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -3.781 flat angles P-C4'-P energy: -0.425 tors. eta vs tors. theta energy: -3.700 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: 3 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -31.512430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.512430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.512430 (E_RNA) where: Base-Base interactions energy: -7.890 where: short stacking energy: -7.890 Base-Backbone interact. energy: -0.029 local terms energy: -23.593651 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.566 flat angles P-C4'-P energy: -5.441 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: 6 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -37.303586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.303586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.303586 (E_RNA) where: Base-Base interactions energy: -12.632 where: short stacking energy: -11.652 Base-Backbone interact. energy: 0.359 local terms energy: -25.029949 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.137 flat angles P-C4'-P energy: -4.310 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: 8, replica: 9 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -29.496976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.496976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.496976 (E_RNA) where: Base-Base interactions energy: -7.812 where: short stacking energy: -7.812 Base-Backbone interact. energy: -0.027 local terms energy: -21.657541 where: bonds (distance) C4'-P energy: -4.426 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -6.808 flat angles P-C4'-P energy: -2.094 tors. eta vs tors. theta energy: -1.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -28.157091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.157091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.157091 (E_RNA) where: Base-Base interactions energy: -3.786 where: short stacking energy: -3.786 Base-Backbone interact. energy: 0.459 local terms energy: -24.830278 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.792 flat angles P-C4'-P energy: -5.947 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: 10, replica: 8 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -30.851337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.851337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.851337 (E_RNA) where: Base-Base interactions energy: -11.555 where: short stacking energy: -11.555 Base-Backbone interact. energy: -0.008 local terms energy: -19.289111 where: bonds (distance) C4'-P energy: -4.818 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -3.383 flat angles P-C4'-P energy: -4.654 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: 1, replica: 10 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -42.951693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.951693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.951693 (E_RNA) where: Base-Base interactions energy: -12.295 where: short stacking energy: -12.295 Base-Backbone interact. energy: -0.208 local terms energy: -30.448232 where: bonds (distance) C4'-P energy: -6.013 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.046 flat angles P-C4'-P energy: -5.917 tors. eta vs tors. theta energy: -5.681 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: 2, replica: 2 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -38.121391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.121391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.121391 (E_RNA) where: Base-Base interactions energy: -11.791 where: short stacking energy: -11.791 Base-Backbone interact. energy: -0.097 local terms energy: -26.233350 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -5.898 flat angles P-C4'-P energy: -4.562 tors. eta vs tors. theta energy: -2.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -35.871009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.871009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.871009 (E_RNA) where: Base-Base interactions energy: -10.177 where: short stacking energy: -10.177 Base-Backbone interact. energy: -0.091 local terms energy: -25.602713 where: bonds (distance) C4'-P energy: -5.542 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.423 flat angles P-C4'-P energy: -4.436 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: 4, replica: 7 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -32.237544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.237544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.237544 (E_RNA) where: Base-Base interactions energy: -7.928 where: short stacking energy: -7.928 Base-Backbone interact. energy: -0.006 local terms energy: -24.303472 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.677 flat angles P-C4'-P energy: -4.547 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: 5, replica: 4 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -31.683446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.683446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.683446 (E_RNA) where: Base-Base interactions energy: -8.249 where: short stacking energy: -8.249 Base-Backbone interact. energy: -0.148 local terms energy: -23.285758 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -6.584 flat angles P-C4'-P energy: -3.776 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: 6, replica: 6 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -33.510367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.510367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.510367 (E_RNA) where: Base-Base interactions energy: -8.284 where: short stacking energy: -6.983 Base-Backbone interact. energy: -0.000 local terms energy: -25.225762 where: bonds (distance) C4'-P energy: -6.278 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.136 flat angles P-C4'-P energy: -3.671 tors. eta vs tors. theta energy: -2.345 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: 3 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -35.350511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.350511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.350511 (E_RNA) where: Base-Base interactions energy: -11.799 where: short stacking energy: -11.799 Base-Backbone interact. energy: -0.009 local terms energy: -23.542000 where: bonds (distance) C4'-P energy: -4.766 bonds (distance) P-C4' energy: -5.417 flat angles C4'-P-C4' energy: -6.661 flat angles P-C4'-P energy: -4.558 tors. eta vs tors. theta energy: -2.139 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: 1 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -31.952482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.952482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.952482 (E_RNA) where: Base-Base interactions energy: -10.297 where: short stacking energy: -8.692 Base-Backbone interact. energy: -0.064 local terms energy: -21.592047 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -3.482 flat angles P-C4'-P energy: -3.740 tors. eta vs tors. theta energy: -0.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -29.644003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.644003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.644003 (E_RNA) where: Base-Base interactions energy: -7.842 where: short stacking energy: -7.842 Base-Backbone interact. energy: -0.000 local terms energy: -21.801711 where: bonds (distance) C4'-P energy: -5.558 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -6.265 flat angles P-C4'-P energy: -3.284 tors. eta vs tors. theta energy: 0.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -31.724693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.724693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.724693 (E_RNA) where: Base-Base interactions energy: -10.785 where: short stacking energy: -10.785 Base-Backbone interact. energy: -0.035 local terms energy: -20.905192 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -5.324 flat angles P-C4'-P energy: -2.101 tors. eta vs tors. theta energy: -1.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -43.112936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.112936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.112936 (E_RNA) where: Base-Base interactions energy: -11.970 where: short stacking energy: -11.970 Base-Backbone interact. energy: -0.000 local terms energy: -31.142651 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.464 flat angles P-C4'-P energy: -4.933 tors. eta vs tors. theta energy: -6.274 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: 10 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -37.856496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.856496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.856496 (E_RNA) where: Base-Base interactions energy: -11.078 where: short stacking energy: -11.078 Base-Backbone interact. energy: -0.005 local terms energy: -26.773523 where: bonds (distance) C4'-P energy: -5.194 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.603 flat angles P-C4'-P energy: -5.932 tors. eta vs tors. theta energy: -2.845 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: 3, replica: 7 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -31.050300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.050300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.050300 (E_RNA) where: Base-Base interactions energy: -7.670 where: short stacking energy: -7.670 Base-Backbone interact. energy: -0.180 local terms energy: -23.200524 where: bonds (distance) C4'-P energy: -5.281 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.576 flat angles P-C4'-P energy: -5.302 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: 110 Temperature: 1.050000 Total energy: -33.209443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.209443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.209443 (E_RNA) where: Base-Base interactions energy: -7.227 where: short stacking energy: -7.227 Base-Backbone interact. energy: -0.005 local terms energy: -25.977436 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -4.890 flat angles P-C4'-P energy: -2.899 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: 5, replica: 6 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -38.205000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.205000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.205000 (E_RNA) where: Base-Base interactions energy: -13.178 where: short stacking energy: -13.178 Base-Backbone interact. energy: -0.025 local terms energy: -25.001689 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -2.823 flat angles P-C4'-P energy: -5.058 tors. eta vs tors. theta energy: -3.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -38.427930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.427930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.427930 (E_RNA) where: Base-Base interactions energy: -9.901 where: short stacking energy: -9.901 Base-Backbone interact. energy: -0.000 local terms energy: -28.526444 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.441 flat angles P-C4'-P energy: -3.091 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: 1 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -28.030855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.030855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.030855 (E_RNA) where: Base-Base interactions energy: -3.375 where: short stacking energy: -3.375 Base-Backbone interact. energy: -0.010 local terms energy: -24.646295 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -5.630 flat angles P-C4'-P energy: -4.663 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: 8, replica: 3 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -30.339853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.339853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.339853 (E_RNA) where: Base-Base interactions energy: -10.785 where: short stacking energy: -10.785 Base-Backbone interact. energy: 2.482 local terms energy: -22.036860 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -5.373 flat angles C4'-P-C4' energy: -5.461 flat angles P-C4'-P energy: -1.535 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: 9, replica: 9 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -31.808201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.808201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.808201 (E_RNA) where: Base-Base interactions energy: -7.473 where: short stacking energy: -7.473 Base-Backbone interact. energy: -0.766 local terms energy: -23.569249 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.602 flat angles P-C4'-P energy: -4.063 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: 10, replica: 8 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -30.195160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.195160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.195160 (E_RNA) where: Base-Base interactions energy: -7.840 where: short stacking energy: -7.840 Base-Backbone interact. energy: -0.002 local terms energy: -22.353119 where: bonds (distance) C4'-P energy: -4.544 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.739 flat angles P-C4'-P energy: -4.115 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: 1, replica: 2 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -34.568555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.568555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.568555 (E_RNA) where: Base-Base interactions energy: -11.082 where: short stacking energy: -11.082 Base-Backbone interact. energy: -0.152 local terms energy: -23.334661 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.199 flat angles P-C4'-P energy: -3.299 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: 2, replica: 7 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -36.737683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.737683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.737683 (E_RNA) where: Base-Base interactions energy: -11.539 where: short stacking energy: -11.539 Base-Backbone interact. energy: -0.000 local terms energy: -25.199073 where: bonds (distance) C4'-P energy: -5.326 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.843 flat angles P-C4'-P energy: -2.241 tors. eta vs tors. theta energy: -4.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -35.696119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.696119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.696119 (E_RNA) where: Base-Base interactions energy: -11.046 where: short stacking energy: -11.046 Base-Backbone interact. energy: -0.022 local terms energy: -24.628130 where: bonds (distance) C4'-P energy: -4.892 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -7.271 flat angles P-C4'-P energy: -4.767 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: 5 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -31.650537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.650537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.650537 (E_RNA) where: Base-Base interactions energy: -8.431 where: short stacking energy: -8.431 Base-Backbone interact. energy: -0.033 local terms energy: -23.186296 where: bonds (distance) C4'-P energy: -4.197 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.097 flat angles P-C4'-P energy: -4.401 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: 5, replica: 6 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -36.924368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.924368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.924368 (E_RNA) where: Base-Base interactions energy: -11.709 where: short stacking energy: -11.709 Base-Backbone interact. energy: -0.000 local terms energy: -25.215691 where: bonds (distance) C4'-P energy: -5.289 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -6.826 flat angles P-C4'-P energy: -5.259 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: 6, replica: 1 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -34.427883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.427883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.427883 (E_RNA) where: Base-Base interactions energy: -6.496 where: short stacking energy: -6.496 Base-Backbone interact. energy: -0.016 local terms energy: -27.915856 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.411 flat angles P-C4'-P energy: -4.402 tors. eta vs tors. theta energy: -3.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -31.108550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.108550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.108550 (E_RNA) where: Base-Base interactions energy: -8.320 where: short stacking energy: -8.320 Base-Backbone interact. energy: -0.058 local terms energy: -22.731323 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -4.206 flat angles C4'-P-C4' energy: -4.263 flat angles P-C4'-P energy: -5.365 tors. eta vs tors. theta energy: -2.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -29.668328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.668328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.668328 (E_RNA) where: Base-Base interactions energy: -3.002 where: short stacking energy: -3.002 Base-Backbone interact. energy: -0.103 local terms energy: -26.563686 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.418 flat angles P-C4'-P energy: -4.141 tors. eta vs tors. theta energy: -0.761 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: 9, replica: 3 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -37.432370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.432370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.432370 (E_RNA) where: Base-Base interactions energy: -10.162 where: short stacking energy: -10.162 Base-Backbone interact. energy: -0.000 local terms energy: -27.270614 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -7.236 flat angles P-C4'-P energy: -2.105 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: 10, replica: 8 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -27.124663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.124663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.124663 (E_RNA) where: Base-Base interactions energy: -4.518 where: short stacking energy: -4.518 Base-Backbone interact. energy: -0.099 local terms energy: -22.507878 where: bonds (distance) C4'-P energy: -3.984 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.895 flat angles P-C4'-P energy: -4.950 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: 1, replica: 7 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -46.419034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.419034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.419034 (E_RNA) where: Base-Base interactions energy: -17.922 where: short stacking energy: -15.797 Base-Backbone interact. energy: -0.021 local terms energy: -28.476113 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.038 flat angles P-C4'-P energy: -4.219 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: 2, replica: 2 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -40.639365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.639365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.639365 (E_RNA) where: Base-Base interactions energy: -11.587 where: short stacking energy: -10.826 Base-Backbone interact. energy: -0.041 local terms energy: -29.011534 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -5.166 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: 3, replica: 10 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -37.017027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.017027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.017027 (E_RNA) where: Base-Base interactions energy: -15.729 where: short stacking energy: -15.729 Base-Backbone interact. energy: -0.026 local terms energy: -21.261478 where: bonds (distance) C4'-P energy: -3.016 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -4.852 flat angles P-C4'-P energy: -4.548 tors. eta vs tors. theta energy: -2.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -31.620007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.620007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.620007 (E_RNA) where: Base-Base interactions energy: -10.770 where: short stacking energy: -10.770 Base-Backbone interact. energy: -0.141 local terms energy: -20.709792 where: bonds (distance) C4'-P energy: -3.472 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.852 flat angles P-C4'-P energy: -2.256 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: 1 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -35.742573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.742573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.742573 (E_RNA) where: Base-Base interactions energy: -10.773 where: short stacking energy: -10.773 Base-Backbone interact. energy: -0.101 local terms energy: -24.868150 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -5.222 flat angles C4'-P-C4' energy: -6.584 flat angles P-C4'-P energy: -3.895 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: 6, replica: 6 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -35.147864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.147864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.147864 (E_RNA) where: Base-Base interactions energy: -8.217 where: short stacking energy: -8.330 Base-Backbone interact. energy: -0.000 local terms energy: -26.931132 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.032 flat angles P-C4'-P energy: -4.083 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: 7, replica: 9 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -30.853427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.853427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.853427 (E_RNA) where: Base-Base interactions energy: -7.294 where: short stacking energy: -7.294 Base-Backbone interact. energy: -0.059 local terms energy: -23.500810 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -4.610 flat angles P-C4'-P energy: -4.776 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: 8, replica: 4 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -25.927725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.927725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.927725 (E_RNA) where: Base-Base interactions energy: -5.135 where: short stacking energy: -5.135 Base-Backbone interact. energy: -0.003 local terms energy: -20.790053 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -3.084 flat angles P-C4'-P energy: -5.208 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: 8 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -39.780850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.780850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.780850 (E_RNA) where: Base-Base interactions energy: -9.940 where: short stacking energy: -9.940 Base-Backbone interact. energy: -0.038 local terms energy: -29.802908 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.174 flat angles P-C4'-P energy: -5.051 tors. eta vs tors. theta energy: -6.323 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: 10, replica: 3 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -29.764406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.764406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.764406 (E_RNA) where: Base-Base interactions energy: -6.215 where: short stacking energy: -6.215 Base-Backbone interact. energy: -0.085 local terms energy: -23.464258 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.825 flat angles P-C4'-P energy: -1.951 tors. eta vs tors. theta energy: -1.839 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: 7 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -36.158863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.158863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.158863 (E_RNA) where: Base-Base interactions energy: -11.834 where: short stacking energy: -11.834 Base-Backbone interact. energy: -0.081 local terms energy: -24.244101 where: bonds (distance) C4'-P energy: -5.503 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.968 flat angles P-C4'-P energy: -4.659 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: 2, replica: 10 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -39.895302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.895302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.895302 (E_RNA) where: Base-Base interactions energy: -10.756 where: short stacking energy: -10.756 Base-Backbone interact. energy: -0.000 local terms energy: -29.139079 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.787 flat angles C4'-P-C4' energy: -6.693 flat angles P-C4'-P energy: -4.682 tors. eta vs tors. theta energy: -4.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -39.561064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.561064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.561064 (E_RNA) where: Base-Base interactions energy: -14.943 where: short stacking energy: -14.943 Base-Backbone interact. energy: -0.017 local terms energy: -24.601668 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -6.587 flat angles P-C4'-P energy: -4.236 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: 4, replica: 1 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -37.194792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.194792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.194792 (E_RNA) where: Base-Base interactions energy: -9.259 where: short stacking energy: -9.259 Base-Backbone interact. energy: -0.000 local terms energy: -27.935893 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.251 flat angles P-C4'-P energy: -2.169 tors. eta vs tors. theta energy: -5.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -40.457386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.457386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.457386 (E_RNA) where: Base-Base interactions energy: -12.290 where: short stacking energy: -11.291 Base-Backbone interact. energy: -1.057 local terms energy: -27.110522 where: bonds (distance) C4'-P energy: -4.560 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.847 flat angles P-C4'-P energy: -3.698 tors. eta vs tors. theta energy: -5.355 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: 9 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -32.828091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.828091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.828091 (E_RNA) where: Base-Base interactions energy: -10.850 where: short stacking energy: -10.850 Base-Backbone interact. energy: -0.088 local terms energy: -21.890737 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.273 flat angles P-C4'-P energy: -3.583 tors. eta vs tors. theta energy: 0.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -30.329209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.329209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.329209 (E_RNA) where: Base-Base interactions energy: -8.086 where: short stacking energy: -8.086 Base-Backbone interact. energy: -0.081 local terms energy: -22.162117 where: bonds (distance) C4'-P energy: -5.173 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.125 flat angles P-C4'-P energy: -3.070 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: 8, replica: 8 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -28.381599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.381599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.381599 (E_RNA) where: Base-Base interactions energy: -6.152 where: short stacking energy: -6.152 Base-Backbone interact. energy: -0.188 local terms energy: -22.042338 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -5.793 flat angles P-C4'-P energy: -2.059 tors. eta vs tors. theta energy: -0.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -28.935945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.935945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.935945 (E_RNA) where: Base-Base interactions energy: -4.504 where: short stacking energy: -4.504 Base-Backbone interact. energy: -0.065 local terms energy: -24.366933 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.189 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: 10, replica: 3 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -32.442497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.442497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.442497 (E_RNA) where: Base-Base interactions energy: -9.699 where: short stacking energy: -9.699 Base-Backbone interact. energy: -0.052 local terms energy: -22.692162 where: bonds (distance) C4'-P energy: -5.325 bonds (distance) P-C4' energy: -6.735 flat angles C4'-P-C4' energy: -6.602 flat angles P-C4'-P energy: -2.851 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: 10 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -34.218190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.218190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.218190 (E_RNA) where: Base-Base interactions energy: -7.448 where: short stacking energy: -7.448 Base-Backbone interact. energy: -0.010 local terms energy: -26.759933 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.939 flat angles P-C4'-P energy: -5.724 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: 2, replica: 7 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -33.505373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.505373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.505373 (E_RNA) where: Base-Base interactions energy: -10.152 where: short stacking energy: -10.152 Base-Backbone interact. energy: -0.009 local terms energy: -23.343810 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -5.560 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -4.731 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: 3, replica: 1 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -33.618909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.618909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.618909 (E_RNA) where: Base-Base interactions energy: -8.935 where: short stacking energy: -8.935 Base-Backbone interact. energy: -0.048 local terms energy: -24.635923 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.604 flat angles P-C4'-P energy: -3.189 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: 2 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -30.947093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.947093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.947093 (E_RNA) where: Base-Base interactions energy: -8.497 where: short stacking energy: -8.497 Base-Backbone interact. energy: -0.071 local terms energy: -22.379471 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -4.934 flat angles C4'-P-C4' energy: -6.125 flat angles P-C4'-P energy: -4.529 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: 5, replica: 9 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -35.002232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.002232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.002232 (E_RNA) where: Base-Base interactions energy: -9.624 where: short stacking energy: -9.624 Base-Backbone interact. energy: -0.004 local terms energy: -25.373870 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.946 flat angles P-C4'-P energy: -5.320 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: 6, replica: 5 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -32.539371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.539371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.539371 (E_RNA) where: Base-Base interactions energy: -7.274 where: short stacking energy: -7.274 Base-Backbone interact. energy: -0.000 local terms energy: -25.265446 where: bonds (distance) C4'-P energy: -5.703 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -5.580 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: 7, replica: 8 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -32.278748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.278748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.278748 (E_RNA) where: Base-Base interactions energy: -7.690 where: short stacking energy: -8.040 Base-Backbone interact. energy: -0.153 local terms energy: -24.435244 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -6.607 flat angles P-C4'-P energy: -4.438 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: 8, replica: 6 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -31.009194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.009194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.009194 (E_RNA) where: Base-Base interactions energy: -9.823 where: short stacking energy: -9.823 Base-Backbone interact. energy: -0.021 local terms energy: -21.164858 where: bonds (distance) C4'-P energy: -4.403 bonds (distance) P-C4' energy: -3.473 flat angles C4'-P-C4' energy: -7.606 flat angles P-C4'-P energy: -2.768 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: 9, replica: 3 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -32.853129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.853129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.853129 (E_RNA) where: Base-Base interactions energy: -10.991 where: short stacking energy: -10.991 Base-Backbone interact. energy: -0.112 local terms energy: -21.750389 where: bonds (distance) C4'-P energy: -4.784 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -3.281 flat angles P-C4'-P energy: -3.247 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: 10, replica: 4 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -30.221590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.221590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.221590 (E_RNA) where: Base-Base interactions energy: -11.429 where: short stacking energy: -11.429 Base-Backbone interact. energy: -0.003 local terms energy: -18.790000 where: bonds (distance) C4'-P energy: -5.989 bonds (distance) P-C4' energy: -4.952 flat angles C4'-P-C4' energy: -3.202 flat angles P-C4'-P energy: -3.584 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: 1, replica: 10 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -37.341369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.341369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.341369 (E_RNA) where: Base-Base interactions energy: -8.236 where: short stacking energy: -8.236 Base-Backbone interact. energy: -0.007 local terms energy: -29.098644 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.582 flat angles P-C4'-P energy: -4.441 tors. eta vs tors. theta energy: -3.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -37.981229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.981229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.981229 (E_RNA) where: Base-Base interactions energy: -11.735 where: short stacking energy: -11.735 Base-Backbone interact. energy: -0.001 local terms energy: -26.244934 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -6.544 flat angles P-C4'-P energy: -3.473 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: 3, replica: 7 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -35.505101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.505101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.505101 (E_RNA) where: Base-Base interactions energy: -11.950 where: short stacking energy: -11.950 Base-Backbone interact. energy: -0.002 local terms energy: -23.553631 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -5.056 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -6.216 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: 4, replica: 9 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -33.645125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.645125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.645125 (E_RNA) where: Base-Base interactions energy: -7.566 where: short stacking energy: -7.566 Base-Backbone interact. energy: -0.005 local terms energy: -26.073921 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.394 flat angles P-C4'-P energy: -3.109 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: 2 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -28.835011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.835011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.835011 (E_RNA) where: Base-Base interactions energy: -6.904 where: short stacking energy: -6.904 Base-Backbone interact. energy: -0.241 local terms energy: -21.690675 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -4.560 flat angles P-C4'-P energy: -4.554 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: 6, replica: 8 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -37.133488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.133488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.133488 (E_RNA) where: Base-Base interactions energy: -10.227 where: short stacking energy: -10.227 Base-Backbone interact. energy: -0.003 local terms energy: -26.903705 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -5.858 flat angles C4'-P-C4' energy: -6.879 flat angles P-C4'-P energy: -5.294 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: 7, replica: 5 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -33.217270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.217270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.217270 (E_RNA) where: Base-Base interactions energy: -8.337 where: short stacking energy: -8.337 Base-Backbone interact. energy: -0.078 local terms energy: -24.801950 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.144 flat angles P-C4'-P energy: -5.883 tors. eta vs tors. theta energy: 0.329 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: 8, replica: 3 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -31.511703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.511703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.511703 (E_RNA) where: Base-Base interactions energy: -7.608 where: short stacking energy: -7.608 Base-Backbone interact. energy: -0.005 local terms energy: -23.898592 where: bonds (distance) C4'-P energy: -5.911 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.440 flat angles P-C4'-P energy: -4.518 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: 9, replica: 6 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -27.031020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.031020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.031020 (E_RNA) where: Base-Base interactions energy: -6.619 where: short stacking energy: -6.619 Base-Backbone interact. energy: -0.002 local terms energy: -20.409872 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -6.741 flat angles P-C4'-P energy: -4.101 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: 10, replica: 4 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -29.052419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.052419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.052419 (E_RNA) where: Base-Base interactions energy: -8.097 where: short stacking energy: -8.097 Base-Backbone interact. energy: -0.001 local terms energy: -20.954537 where: bonds (distance) C4'-P energy: -3.811 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.408 flat angles P-C4'-P energy: -3.285 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: 1, replica: 10 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -41.005466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.005466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.005466 (E_RNA) where: Base-Base interactions energy: -13.006 where: short stacking energy: -13.006 Base-Backbone interact. energy: -0.001 local terms energy: -27.998614 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.194 flat angles P-C4'-P energy: -3.909 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: 2, replica: 1 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -39.408256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.408256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.408256 (E_RNA) where: Base-Base interactions energy: -11.430 where: short stacking energy: -11.430 Base-Backbone interact. energy: -0.001 local terms energy: -27.977090 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -6.749 flat angles P-C4'-P energy: -5.326 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: 3, replica: 9 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -34.117262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.117262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.117262 (E_RNA) where: Base-Base interactions energy: -10.742 where: short stacking energy: -10.742 Base-Backbone interact. energy: -0.000 local terms energy: -23.374985 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -5.265 flat angles C4'-P-C4' energy: -5.849 flat angles P-C4'-P energy: -4.118 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: 4, replica: 7 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -35.139063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.139063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.139063 (E_RNA) where: Base-Base interactions energy: -9.444 where: short stacking energy: -9.444 Base-Backbone interact. energy: -0.140 local terms energy: -25.554772 where: bonds (distance) C4'-P energy: -4.842 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -7.606 flat angles P-C4'-P energy: -4.808 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: 5, replica: 8 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -31.317376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.317376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.317376 (E_RNA) where: Base-Base interactions energy: -7.213 where: short stacking energy: -7.213 Base-Backbone interact. energy: -0.002 local terms energy: -24.102464 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -5.757 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: 6, replica: 2 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -29.318707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.318707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.318707 (E_RNA) where: Base-Base interactions energy: -4.890 where: short stacking energy: -4.890 Base-Backbone interact. energy: -0.136 local terms energy: -24.292193 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.479 flat angles P-C4'-P energy: -4.571 tors. eta vs tors. theta energy: -1.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -35.551776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.551776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.551776 (E_RNA) where: Base-Base interactions energy: -12.756 where: short stacking energy: -12.756 Base-Backbone interact. energy: -0.100 local terms energy: -22.696354 where: bonds (distance) C4'-P energy: -6.286 bonds (distance) P-C4' energy: -3.753 flat angles C4'-P-C4' energy: -5.123 flat angles P-C4'-P energy: -3.361 tors. eta vs tors. theta energy: -4.173 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: 5 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -32.678466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.678466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.678466 (E_RNA) where: Base-Base interactions energy: -8.000 where: short stacking energy: -8.000 Base-Backbone interact. energy: -0.034 local terms energy: -24.643545 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -3.849 flat angles C4'-P-C4' energy: -5.920 flat angles P-C4'-P energy: -5.102 tors. eta vs tors. theta energy: -2.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -29.630461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.630461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.630461 (E_RNA) where: Base-Base interactions energy: -10.486 where: short stacking energy: -10.486 Base-Backbone interact. energy: -0.000 local terms energy: -19.144680 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.516 flat angles P-C4'-P energy: -1.805 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: 10, replica: 6 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -28.889883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.889883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.889883 (E_RNA) where: Base-Base interactions energy: -7.072 where: short stacking energy: -7.072 Base-Backbone interact. energy: -0.298 local terms energy: -21.519749 where: bonds (distance) C4'-P energy: -5.057 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.706 flat angles P-C4'-P energy: -4.958 tors. eta vs tors. theta energy: 0.761 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: 10 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -40.668788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.668788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.668788 (E_RNA) where: Base-Base interactions energy: -12.402 where: short stacking energy: -12.402 Base-Backbone interact. energy: -0.000 local terms energy: -28.266943 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.890 flat angles P-C4'-P energy: -3.357 tors. eta vs tors. theta energy: -4.862 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: 9 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -40.680856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.680856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.680856 (E_RNA) where: Base-Base interactions energy: -13.802 where: short stacking energy: -13.802 Base-Backbone interact. energy: -0.000 local terms energy: -26.878970 where: bonds (distance) C4'-P energy: -6.072 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -5.574 flat angles P-C4'-P energy: -4.562 tors. eta vs tors. theta energy: -3.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -38.408114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.408114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.408114 (E_RNA) where: Base-Base interactions energy: -12.628 where: short stacking energy: -12.628 Base-Backbone interact. energy: -0.000 local terms energy: -25.779968 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.828 flat angles P-C4'-P energy: -2.733 tors. eta vs tors. theta energy: -2.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -32.201689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.201689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.201689 (E_RNA) where: Base-Base interactions energy: -6.101 where: short stacking energy: -6.901 Base-Backbone interact. energy: -0.246 local terms energy: -25.854656 where: bonds (distance) C4'-P energy: -4.286 bonds (distance) P-C4' energy: -7.253 flat angles C4'-P-C4' energy: -6.626 flat angles P-C4'-P energy: -5.361 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: 5, replica: 7 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -30.063636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.063636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.063636 (E_RNA) where: Base-Base interactions energy: -6.288 where: short stacking energy: -6.288 Base-Backbone interact. energy: -0.007 local terms energy: -23.768562 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.989 flat angles P-C4'-P energy: -3.163 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: 6, replica: 3 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -29.048456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.048456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.048456 (E_RNA) where: Base-Base interactions energy: -7.166 where: short stacking energy: -7.166 Base-Backbone interact. energy: -0.064 local terms energy: -21.819328 where: bonds (distance) C4'-P energy: -5.247 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -4.828 flat angles P-C4'-P energy: -2.429 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: 7, replica: 2 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -29.345654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.345654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.345654 (E_RNA) where: Base-Base interactions energy: -6.385 where: short stacking energy: -6.385 Base-Backbone interact. energy: -0.091 local terms energy: -22.869756 where: bonds (distance) C4'-P energy: -2.689 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.507 flat angles P-C4'-P energy: -4.825 tors. eta vs tors. theta energy: -1.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -29.143645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.143645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.143645 (E_RNA) where: Base-Base interactions energy: -5.640 where: short stacking energy: -3.966 Base-Backbone interact. energy: -0.022 local terms energy: -23.481134 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -3.746 flat angles P-C4'-P energy: -4.962 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: 5 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -27.207569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.207569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.207569 (E_RNA) where: Base-Base interactions energy: -6.146 where: short stacking energy: -6.146 Base-Backbone interact. energy: -0.000 local terms energy: -21.061796 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.125 flat angles P-C4'-P energy: -3.083 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: 10, replica: 6 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -28.037719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.037719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.037719 (E_RNA) where: Base-Base interactions energy: -6.287 where: short stacking energy: -6.287 Base-Backbone interact. energy: -0.001 local terms energy: -21.749810 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -4.728 flat angles P-C4'-P energy: -3.906 tors. eta vs tors. theta energy: -0.504 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: 118 Temperature: 0.900000 Total energy: -39.407845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.407845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.407845 (E_RNA) where: Base-Base interactions energy: -14.087 where: short stacking energy: -14.087 Base-Backbone interact. energy: -0.000 local terms energy: -25.320825 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -6.007 flat angles P-C4'-P energy: -3.611 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: 2, replica: 9 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -40.781915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.781915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.781915 (E_RNA) where: Base-Base interactions energy: -12.278 where: short stacking energy: -12.278 Base-Backbone interact. energy: -0.000 local terms energy: -28.503504 where: bonds (distance) C4'-P energy: -6.878 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.483 flat angles P-C4'-P energy: -4.319 tors. eta vs tors. theta energy: -3.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -40.310932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.310932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.310932 (E_RNA) where: Base-Base interactions energy: -10.987 where: short stacking energy: -10.987 Base-Backbone interact. energy: -0.000 local terms energy: -29.324371 where: bonds (distance) C4'-P energy: -5.404 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -5.895 flat angles P-C4'-P energy: -5.835 tors. eta vs tors. theta energy: -5.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -31.780968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.780968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.780968 (E_RNA) where: Base-Base interactions energy: -7.209 where: short stacking energy: -7.209 Base-Backbone interact. energy: -0.043 local terms energy: -24.528974 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -4.925 flat angles C4'-P-C4' energy: -7.063 flat angles P-C4'-P energy: -4.063 tors. eta vs tors. theta energy: -1.670 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: 3 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -34.401922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.401922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.401922 (E_RNA) where: Base-Base interactions energy: -7.688 where: short stacking energy: -7.688 Base-Backbone interact. energy: -0.000 local terms energy: -26.714176 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.078 flat angles P-C4'-P energy: -4.159 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: 6, replica: 7 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -33.360897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.360897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.360897 (E_RNA) where: Base-Base interactions energy: -10.646 where: short stacking energy: -10.646 Base-Backbone interact. energy: -0.013 local terms energy: -22.701979 where: bonds (distance) C4'-P energy: -4.242 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -4.101 flat angles P-C4'-P energy: -5.848 tors. eta vs tors. theta energy: -1.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -29.422850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.422850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.422850 (E_RNA) where: Base-Base interactions energy: -8.589 where: short stacking energy: -8.589 Base-Backbone interact. energy: -0.002 local terms energy: -20.831128 where: bonds (distance) C4'-P energy: -4.990 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.342 flat angles P-C4'-P energy: -3.220 tors. eta vs tors. theta energy: 1.749 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: 2 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -30.984061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.984061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.984061 (E_RNA) where: Base-Base interactions energy: -2.515 where: short stacking energy: -2.515 Base-Backbone interact. energy: -0.099 local terms energy: -28.369977 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.276 flat angles P-C4'-P energy: -6.505 tors. eta vs tors. theta energy: -2.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -29.927648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.927648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.927648 (E_RNA) where: Base-Base interactions energy: -7.966 where: short stacking energy: -2.378 Base-Backbone interact. energy: -0.016 local terms energy: -21.945524 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -4.404 flat angles P-C4'-P energy: -5.476 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: 6 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -26.831784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.831784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.831784 (E_RNA) where: Base-Base interactions energy: -4.698 where: short stacking energy: -4.698 Base-Backbone interact. energy: -0.025 local terms energy: -22.108658 where: bonds (distance) C4'-P energy: -7.433 bonds (distance) P-C4' energy: -6.003 flat angles C4'-P-C4' energy: -5.153 flat angles P-C4'-P energy: -2.307 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: 1, replica: 10 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -42.099536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.099536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.099536 (E_RNA) where: Base-Base interactions energy: -12.386 where: short stacking energy: -12.386 Base-Backbone interact. energy: -0.000 local terms energy: -29.713307 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.964 flat angles P-C4'-P energy: -2.726 tors. eta vs tors. theta energy: -5.452 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: 2, replica: 9 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -38.326173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.326173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.326173 (E_RNA) where: Base-Base interactions energy: -12.190 where: short stacking energy: -12.190 Base-Backbone interact. energy: -0.000 local terms energy: -26.136464 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.166 flat angles P-C4'-P energy: -4.684 tors. eta vs tors. theta energy: -0.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -43.501126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.501126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.501126 (E_RNA) where: Base-Base interactions energy: -14.449 where: short stacking energy: -14.449 Base-Backbone interact. energy: -0.000 local terms energy: -29.051920 where: bonds (distance) C4'-P energy: -6.688 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -5.744 flat angles P-C4'-P energy: -5.413 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: 4, replica: 3 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -31.715088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.715088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.715088 (E_RNA) where: Base-Base interactions energy: -8.791 where: short stacking energy: -7.536 Base-Backbone interact. energy: -0.425 local terms energy: -22.499699 where: bonds (distance) C4'-P energy: -3.864 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -6.455 flat angles P-C4'-P energy: -4.401 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: 1 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -36.650781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.650781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.650781 (E_RNA) where: Base-Base interactions energy: -10.782 where: short stacking energy: -10.782 Base-Backbone interact. energy: -0.097 local terms energy: -25.771426 where: bonds (distance) C4'-P energy: -4.846 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.399 flat angles P-C4'-P energy: -5.588 tors. eta vs tors. theta energy: -2.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -28.752603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.752603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.752603 (E_RNA) where: Base-Base interactions energy: -4.185 where: short stacking energy: -4.185 Base-Backbone interact. energy: -0.040 local terms energy: -24.527562 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.721 flat angles P-C4'-P energy: -5.071 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: 7 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -29.941596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.941596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.941596 (E_RNA) where: Base-Base interactions energy: -6.181 where: short stacking energy: -6.181 Base-Backbone interact. energy: -0.001 local terms energy: -23.760314 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.491 flat angles P-C4'-P energy: -3.273 tors. eta vs tors. theta energy: -2.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -29.954829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.954829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.954829 (E_RNA) where: Base-Base interactions energy: -7.529 where: short stacking energy: -7.529 Base-Backbone interact. energy: -0.001 local terms energy: -22.424691 where: bonds (distance) C4'-P energy: -4.122 bonds (distance) P-C4' energy: -6.454 flat angles C4'-P-C4' energy: -6.976 flat angles P-C4'-P energy: -3.274 tors. eta vs tors. theta energy: -1.599 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: 2 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -35.909757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.909757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.909757 (E_RNA) where: Base-Base interactions energy: -9.624 where: short stacking energy: -9.624 Base-Backbone interact. energy: -0.000 local terms energy: -26.285636 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.447 flat angles P-C4'-P energy: -3.489 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: 10, replica: 6 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -31.532217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.532217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.532217 (E_RNA) where: Base-Base interactions energy: -8.999 where: short stacking energy: -8.999 Base-Backbone interact. energy: -0.089 local terms energy: -22.443822 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -3.038 flat angles C4'-P-C4' energy: -6.176 flat angles P-C4'-P energy: -5.020 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: 9 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -40.896506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.896506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.896506 (E_RNA) where: Base-Base interactions energy: -12.231 where: short stacking energy: -12.231 Base-Backbone interact. energy: -0.001 local terms energy: -28.664288 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.589 flat angles P-C4'-P energy: -5.716 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: 2, replica: 10 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -37.617451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.617451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.617451 (E_RNA) where: Base-Base interactions energy: -10.626 where: short stacking energy: -10.626 Base-Backbone interact. energy: -0.075 local terms energy: -26.916029 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.368 flat angles P-C4'-P energy: -3.583 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: 120 Temperature: 1.000000 Total energy: -33.773508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.773508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.773508 (E_RNA) where: Base-Base interactions energy: -11.679 where: short stacking energy: -11.679 Base-Backbone interact. energy: -0.005 local terms energy: -22.089663 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -6.185 flat angles P-C4'-P energy: -2.058 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: 8 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -41.243003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.243003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.243003 (E_RNA) where: Base-Base interactions energy: -12.256 where: short stacking energy: -12.256 Base-Backbone interact. energy: -0.005 local terms energy: -28.982258 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.496 flat angles P-C4'-P energy: -5.029 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: 5, replica: 4 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -34.640174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.640174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.640174 (E_RNA) where: Base-Base interactions energy: -8.117 where: short stacking energy: -8.117 Base-Backbone interact. energy: -0.056 local terms energy: -26.466965 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.590 flat angles P-C4'-P energy: -4.771 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: 6, replica: 1 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -32.275763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.275763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.275763 (E_RNA) where: Base-Base interactions energy: -8.433 where: short stacking energy: -7.776 Base-Backbone interact. energy: 0.019 local terms energy: -23.861242 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -3.811 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: 7, replica: 5 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -32.463705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.463705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.463705 (E_RNA) where: Base-Base interactions energy: -12.039 where: short stacking energy: -12.039 Base-Backbone interact. energy: -0.030 local terms energy: -20.395583 where: bonds (distance) C4'-P energy: -5.371 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -3.062 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: 7 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -29.916061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.916061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.916061 (E_RNA) where: Base-Base interactions energy: -6.360 where: short stacking energy: -6.360 Base-Backbone interact. energy: -0.099 local terms energy: -23.457009 where: bonds (distance) C4'-P energy: -5.695 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -3.237 flat angles P-C4'-P energy: -5.246 tors. eta vs tors. theta energy: -2.171 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: 6 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -29.331160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.331160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.331160 (E_RNA) where: Base-Base interactions energy: -6.148 where: short stacking energy: -6.148 Base-Backbone interact. energy: -0.003 local terms energy: -23.179749 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -6.654 flat angles C4'-P-C4' energy: -2.664 flat angles P-C4'-P energy: -3.779 tors. eta vs tors. theta energy: -3.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -27.559334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.559334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.559334 (E_RNA) where: Base-Base interactions energy: -4.970 where: short stacking energy: -4.970 Base-Backbone interact. energy: -0.117 local terms energy: -22.472795 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -6.201 flat angles P-C4'-P energy: -3.283 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: 9 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -38.101657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.101657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.101657 (E_RNA) where: Base-Base interactions energy: -13.887 where: short stacking energy: -13.887 Base-Backbone interact. energy: -0.037 local terms energy: -24.177190 where: bonds (distance) C4'-P energy: -5.636 bonds (distance) P-C4' energy: -6.790 flat angles C4'-P-C4' energy: -5.901 flat angles P-C4'-P energy: -2.387 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: 2, replica: 3 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -40.898478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.898478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.898478 (E_RNA) where: Base-Base interactions energy: -12.423 where: short stacking energy: -12.285 Base-Backbone interact. energy: -0.007 local terms energy: -28.468961 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.589 flat angles P-C4'-P energy: -6.020 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: 3, replica: 10 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -38.450185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.450185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.450185 (E_RNA) where: Base-Base interactions energy: -12.168 where: short stacking energy: -12.168 Base-Backbone interact. energy: -0.100 local terms energy: -26.181983 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.543 flat angles P-C4'-P energy: -4.278 tors. eta vs tors. theta energy: -3.282 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: 121 Temperature: 1.050000 Total energy: -39.619422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.619422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.619422 (E_RNA) where: Base-Base interactions energy: -14.371 where: short stacking energy: -14.371 Base-Backbone interact. energy: -0.001 local terms energy: -25.247643 where: bonds (distance) C4'-P energy: -4.870 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -3.590 flat angles P-C4'-P energy: -2.288 tors. eta vs tors. theta energy: -7.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -33.860051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.860051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.860051 (E_RNA) where: Base-Base interactions energy: -6.349 where: short stacking energy: -6.349 Base-Backbone interact. energy: -0.008 local terms energy: -27.503675 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.611 flat angles P-C4'-P energy: -4.103 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: 6, replica: 5 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -31.804925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.804925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.804925 (E_RNA) where: Base-Base interactions energy: -6.781 where: short stacking energy: -6.781 Base-Backbone interact. energy: -0.005 local terms energy: -25.018300 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -5.302 flat angles C4'-P-C4' energy: -6.155 flat angles P-C4'-P energy: -4.704 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: 1 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -41.642423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.642423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.642423 (E_RNA) where: Base-Base interactions energy: -16.071 where: short stacking energy: -16.071 Base-Backbone interact. energy: -0.000 local terms energy: -25.571449 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -7.026 flat angles C4'-P-C4' energy: -5.232 flat angles P-C4'-P energy: -3.820 tors. eta vs tors. theta energy: -4.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -28.051107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.051107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.051107 (E_RNA) where: Base-Base interactions energy: -6.471 where: short stacking energy: -6.471 Base-Backbone interact. energy: -0.041 local terms energy: -21.538801 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -4.537 flat angles P-C4'-P energy: -2.950 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: 9, replica: 7 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -28.262609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.262609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.262609 (E_RNA) where: Base-Base interactions energy: -8.512 where: short stacking energy: -8.512 Base-Backbone interact. energy: -0.091 local terms energy: -19.659356 where: bonds (distance) C4'-P energy: -4.738 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -4.744 flat angles P-C4'-P energy: -4.167 tors. eta vs tors. theta energy: 0.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -36.557541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.557541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.557541 (E_RNA) where: Base-Base interactions energy: -14.778 where: short stacking energy: -14.778 Base-Backbone interact. energy: -0.000 local terms energy: -21.779790 where: bonds (distance) C4'-P energy: -4.660 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: 0.657 flat angles P-C4'-P energy: -5.286 tors. eta vs tors. theta energy: -5.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -35.183095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.183095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.183095 (E_RNA) where: Base-Base interactions energy: -10.296 where: short stacking energy: -10.296 Base-Backbone interact. energy: -0.015 local terms energy: -24.872242 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.875 flat angles P-C4'-P energy: -3.953 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: 2, replica: 9 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -37.717906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.717906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.717906 (E_RNA) where: Base-Base interactions energy: -10.261 where: short stacking energy: -10.261 Base-Backbone interact. energy: -0.058 local terms energy: -27.398868 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -5.235 tors. eta vs tors. theta energy: -3.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -38.797375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.797375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.797375 (E_RNA) where: Base-Base interactions energy: -8.354 where: short stacking energy: -8.354 Base-Backbone interact. energy: -0.000 local terms energy: -30.443301 where: bonds (distance) C4'-P energy: -5.976 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -6.868 flat angles P-C4'-P energy: -5.136 tors. eta vs tors. theta energy: -5.398 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: 4, replica: 10 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -39.050251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.050251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.050251 (E_RNA) where: Base-Base interactions energy: -11.235 where: short stacking energy: -11.235 Base-Backbone interact. energy: -0.000 local terms energy: -27.814649 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -4.777 flat angles P-C4'-P energy: -5.763 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: 5 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -33.181953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.181953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.181953 (E_RNA) where: Base-Base interactions energy: -5.604 where: short stacking energy: -5.604 Base-Backbone interact. energy: -0.112 local terms energy: -27.466382 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.825 flat angles P-C4'-P energy: -5.084 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: 6, replica: 8 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -33.992212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.992212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.992212 (E_RNA) where: Base-Base interactions energy: -10.226 where: short stacking energy: -10.226 Base-Backbone interact. energy: -0.111 local terms energy: -23.654834 where: bonds (distance) C4'-P energy: -5.218 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -5.026 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: 7, replica: 1 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -30.807254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.807254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.807254 (E_RNA) where: Base-Base interactions energy: -8.535 where: short stacking energy: -8.535 Base-Backbone interact. energy: -0.018 local terms energy: -22.254089 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.326 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -4.095 tors. eta vs tors. theta energy: 1.123 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: 6 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -28.487800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.487800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.487800 (E_RNA) where: Base-Base interactions energy: -5.573 where: short stacking energy: -5.573 Base-Backbone interact. energy: -0.046 local terms energy: -22.869555 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.024 flat angles P-C4'-P energy: -4.167 tors. eta vs tors. theta energy: -0.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -33.165730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.165730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.165730 (E_RNA) where: Base-Base interactions energy: -7.568 where: short stacking energy: -7.568 Base-Backbone interact. energy: -0.045 local terms energy: -25.553302 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.985 flat angles C4'-P-C4' energy: -6.967 flat angles P-C4'-P energy: -3.877 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: 10, replica: 7 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -31.465885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.465885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.465885 (E_RNA) where: Base-Base interactions energy: -5.937 where: short stacking energy: -5.937 Base-Backbone interact. energy: -0.000 local terms energy: -25.528922 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -5.640 flat angles P-C4'-P energy: -4.464 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: 1, replica: 3 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -37.932639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.932639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.932639 (E_RNA) where: Base-Base interactions energy: -10.892 where: short stacking energy: -10.892 Base-Backbone interact. energy: -0.055 local terms energy: -26.984971 where: bonds (distance) C4'-P energy: -5.894 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -7.026 flat angles P-C4'-P energy: -4.605 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: 2, replica: 4 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -35.153983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.153983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.153983 (E_RNA) where: Base-Base interactions energy: -9.384 where: short stacking energy: -8.056 Base-Backbone interact. energy: -0.106 local terms energy: -25.664459 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.385 flat angles P-C4'-P energy: -4.351 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: 9 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -34.341881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.341881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.341881 (E_RNA) where: Base-Base interactions energy: -9.286 where: short stacking energy: -9.286 Base-Backbone interact. energy: -0.009 local terms energy: -25.047523 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.820 flat angles P-C4'-P energy: -2.112 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: 4, replica: 5 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -38.231240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.231240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.231240 (E_RNA) where: Base-Base interactions energy: -13.509 where: short stacking energy: -13.509 Base-Backbone interact. energy: -0.100 local terms energy: -24.621475 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -5.068 flat angles P-C4'-P energy: -3.798 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: 5, replica: 10 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -36.767217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.767217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.767217 (E_RNA) where: Base-Base interactions energy: -9.597 where: short stacking energy: -9.597 Base-Backbone interact. energy: -0.000 local terms energy: -27.170343 where: bonds (distance) C4'-P energy: -6.924 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -6.145 flat angles P-C4'-P energy: -4.286 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: 6, replica: 8 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -36.338066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.338066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.338066 (E_RNA) where: Base-Base interactions energy: -11.735 where: short stacking energy: -11.735 Base-Backbone interact. energy: -0.002 local terms energy: -24.601098 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -5.408 flat angles P-C4'-P energy: -4.077 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: 7, replica: 1 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -28.753004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.753004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.753004 (E_RNA) where: Base-Base interactions energy: -3.665 where: short stacking energy: -3.665 Base-Backbone interact. energy: -0.117 local terms energy: -24.970748 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.156 flat angles P-C4'-P energy: -5.425 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: 8, replica: 2 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -28.744001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.744001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.744001 (E_RNA) where: Base-Base interactions energy: -6.825 where: short stacking energy: -6.825 Base-Backbone interact. energy: -0.004 local terms energy: -21.915135 where: bonds (distance) C4'-P energy: -4.749 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -4.590 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: 9, replica: 6 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -30.436885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.436885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.436885 (E_RNA) where: Base-Base interactions energy: -5.672 where: short stacking energy: -5.672 Base-Backbone interact. energy: -0.012 local terms energy: -24.753124 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.143 flat angles C4'-P-C4' energy: -6.866 flat angles P-C4'-P energy: -3.379 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: 10, replica: 7 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -32.677272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.677272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.677272 (E_RNA) where: Base-Base interactions energy: -9.610 where: short stacking energy: -9.610 Base-Backbone interact. energy: 0.015 local terms energy: -23.082773 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -5.554 flat angles C4'-P-C4' energy: -4.879 flat angles P-C4'-P energy: -5.008 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: 1, replica: 4 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -37.655190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.655190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.655190 (E_RNA) where: Base-Base interactions energy: -10.677 where: short stacking energy: -10.018 Base-Backbone interact. energy: -0.143 local terms energy: -26.835568 where: bonds (distance) C4'-P energy: -4.349 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.591 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: -4.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -38.997608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.997608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.997608 (E_RNA) where: Base-Base interactions energy: -11.721 where: short stacking energy: -11.721 Base-Backbone interact. energy: -0.000 local terms energy: -27.276648 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -7.146 flat angles P-C4'-P energy: -4.327 tors. eta vs tors. theta energy: -2.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -36.960212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.960212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.960212 (E_RNA) where: Base-Base interactions energy: -13.665 where: short stacking energy: -13.665 Base-Backbone interact. energy: -0.003 local terms energy: -23.292935 where: bonds (distance) C4'-P energy: -5.132 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.649 flat angles P-C4'-P energy: -4.795 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: 4, replica: 9 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -32.898269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.898269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.898269 (E_RNA) where: Base-Base interactions energy: -7.620 where: short stacking energy: -7.620 Base-Backbone interact. energy: -0.101 local terms energy: -25.176804 where: bonds (distance) C4'-P energy: -5.364 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -5.279 tors. eta vs tors. theta energy: -1.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -32.572111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.572111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.572111 (E_RNA) where: Base-Base interactions energy: -9.457 where: short stacking energy: -9.457 Base-Backbone interact. energy: -0.792 local terms energy: -22.323342 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.753 flat angles P-C4'-P energy: -1.983 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: 6, replica: 8 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -29.971586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.971586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.971586 (E_RNA) where: Base-Base interactions energy: -5.529 where: short stacking energy: -6.929 Base-Backbone interact. energy: -0.006 local terms energy: -24.436574 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.392 flat angles P-C4'-P energy: -4.279 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: 2 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -30.470161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.470161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.470161 (E_RNA) where: Base-Base interactions energy: -6.395 where: short stacking energy: -6.395 Base-Backbone interact. energy: -0.029 local terms energy: -24.046545 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -5.296 flat angles C4'-P-C4' energy: -6.372 flat angles P-C4'-P energy: -3.930 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: 8, replica: 1 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -31.859603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.859603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.859603 (E_RNA) where: Base-Base interactions energy: -8.098 where: short stacking energy: -8.098 Base-Backbone interact. energy: 0.481 local terms energy: -24.242483 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -6.456 flat angles P-C4'-P energy: -2.707 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: 9, replica: 7 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -31.761376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.761376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.761376 (E_RNA) where: Base-Base interactions energy: -8.159 where: short stacking energy: -8.159 Base-Backbone interact. energy: -0.007 local terms energy: -23.595888 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.584 flat angles P-C4'-P energy: -1.011 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: 10, replica: 6 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -29.375280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.375280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.375280 (E_RNA) where: Base-Base interactions energy: -4.102 where: short stacking energy: -4.102 Base-Backbone interact. energy: -0.164 local terms energy: -25.108950 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.654 flat angles C4'-P-C4' energy: -3.770 flat angles P-C4'-P energy: -5.548 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: 1, replica: 4 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -38.642550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.642550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.642550 (E_RNA) where: Base-Base interactions energy: -10.581 where: short stacking energy: -10.581 Base-Backbone interact. energy: -0.001 local terms energy: -28.060051 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.059 flat angles P-C4'-P energy: -4.758 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: 2, replica: 5 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -35.090681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.090681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.090681 (E_RNA) where: Base-Base interactions energy: -8.644 where: short stacking energy: -8.644 Base-Backbone interact. energy: -0.000 local terms energy: -26.446997 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.631 flat angles P-C4'-P energy: -5.660 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: 3, replica: 3 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -35.470538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.470538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.470538 (E_RNA) where: Base-Base interactions energy: -11.374 where: short stacking energy: -11.374 Base-Backbone interact. energy: -0.035 local terms energy: -24.061319 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -6.214 flat angles P-C4'-P energy: -3.949 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: 4, replica: 10 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -37.974942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.974942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.974942 (E_RNA) where: Base-Base interactions energy: -12.088 where: short stacking energy: -11.059 Base-Backbone interact. energy: -0.594 local terms energy: -25.292075 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -6.461 flat angles P-C4'-P energy: -4.090 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: 5, replica: 9 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -31.699566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.699566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.699566 (E_RNA) where: Base-Base interactions energy: -5.026 where: short stacking energy: -5.026 Base-Backbone interact. energy: -0.000 local terms energy: -26.673672 where: bonds (distance) C4'-P energy: -6.275 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -4.793 flat angles P-C4'-P energy: -4.600 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: 6, replica: 2 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -32.450784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.450784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.450784 (E_RNA) where: Base-Base interactions energy: -9.493 where: short stacking energy: -9.493 Base-Backbone interact. energy: -0.062 local terms energy: -22.895758 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.517 flat angles P-C4'-P energy: -3.609 tors. eta vs tors. theta energy: -0.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -32.318851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.318851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.318851 (E_RNA) where: Base-Base interactions energy: -7.281 where: short stacking energy: -7.281 Base-Backbone interact. energy: -0.036 local terms energy: -25.002246 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.448 flat angles P-C4'-P energy: -4.015 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: 7 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -29.492576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.492576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.492576 (E_RNA) where: Base-Base interactions energy: -7.001 where: short stacking energy: -7.001 Base-Backbone interact. energy: -0.032 local terms energy: -22.459776 where: bonds (distance) C4'-P energy: -5.860 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -3.825 flat angles P-C4'-P energy: -1.363 tors. eta vs tors. theta energy: -3.614 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: 9, replica: 1 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -27.569164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.569164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.569164 (E_RNA) where: Base-Base interactions energy: -7.528 where: short stacking energy: -6.280 Base-Backbone interact. energy: -0.107 local terms energy: -19.933574 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -4.452 flat angles C4'-P-C4' energy: -3.445 flat angles P-C4'-P energy: -4.180 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: 10, replica: 6 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -28.721385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.721385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.721385 (E_RNA) where: Base-Base interactions energy: -6.325 where: short stacking energy: -6.325 Base-Backbone interact. energy: -0.024 local terms energy: -22.372353 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -4.945 flat angles P-C4'-P energy: -4.175 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: 1, replica: 5 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -40.775191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.775191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.775191 (E_RNA) where: Base-Base interactions energy: -16.009 where: short stacking energy: -16.009 Base-Backbone interact. energy: -0.099 local terms energy: -24.666561 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.761 flat angles P-C4'-P energy: -2.045 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: 2, replica: 4 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -35.032506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.032506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.032506 (E_RNA) where: Base-Base interactions energy: -7.728 where: short stacking energy: -7.728 Base-Backbone interact. energy: -0.083 local terms energy: -27.221532 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -7.126 flat angles P-C4'-P energy: -6.147 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: 3, replica: 10 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -33.721724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.721724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.721724 (E_RNA) where: Base-Base interactions energy: -10.968 where: short stacking energy: -10.968 Base-Backbone interact. energy: -0.013 local terms energy: -22.740808 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -3.214 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: 4, replica: 3 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -34.138349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.138349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.138349 (E_RNA) where: Base-Base interactions energy: -10.124 where: short stacking energy: -10.124 Base-Backbone interact. energy: -0.004 local terms energy: -24.010233 where: bonds (distance) C4'-P energy: -7.002 bonds (distance) P-C4' energy: -5.745 flat angles C4'-P-C4' energy: -6.486 flat angles P-C4'-P energy: -4.791 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: 5, replica: 9 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -34.847548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.847548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.847548 (E_RNA) where: Base-Base interactions energy: -6.856 where: short stacking energy: -6.856 Base-Backbone interact. energy: -0.000 local terms energy: -27.990881 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -7.552 flat angles P-C4'-P energy: -4.406 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: 2 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -31.202483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.202483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.202483 (E_RNA) where: Base-Base interactions energy: -7.522 where: short stacking energy: -7.522 Base-Backbone interact. energy: -0.157 local terms energy: -23.523557 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.656 flat angles P-C4'-P energy: -2.791 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: 7, replica: 7 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -29.961306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.961306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.961306 (E_RNA) where: Base-Base interactions energy: -9.217 where: short stacking energy: -9.217 Base-Backbone interact. energy: -0.065 local terms energy: -20.679596 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.005 flat angles P-C4'-P energy: -2.812 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: 8, replica: 8 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -32.146664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.146664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.146664 (E_RNA) where: Base-Base interactions energy: -9.189 where: short stacking energy: -9.189 Base-Backbone interact. energy: -0.023 local terms energy: -22.935139 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.051 flat angles P-C4'-P energy: -4.746 tors. eta vs tors. theta energy: 0.709 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: 6 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -33.028766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.028766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.028766 (E_RNA) where: Base-Base interactions energy: -10.189 where: short stacking energy: -10.189 Base-Backbone interact. energy: -0.019 local terms energy: -22.821009 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -5.738 flat angles C4'-P-C4' energy: -5.404 flat angles P-C4'-P energy: -4.345 tors. eta vs tors. theta energy: -0.124 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: 1 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -33.347078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.347078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.347078 (E_RNA) where: Base-Base interactions energy: -6.311 where: short stacking energy: -6.311 Base-Backbone interact. energy: -0.027 local terms energy: -27.008952 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.368 flat angles P-C4'-P energy: -3.748 tors. eta vs tors. theta energy: -3.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -39.892325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.892325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.892325 (E_RNA) where: Base-Base interactions energy: -9.019 where: short stacking energy: -9.019 Base-Backbone interact. energy: -0.000 local terms energy: -30.873217 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.414 flat angles P-C4'-P energy: -4.406 tors. eta vs tors. theta energy: -6.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -41.052804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.052804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.052804 (E_RNA) where: Base-Base interactions energy: -14.786 where: short stacking energy: -14.786 Base-Backbone interact. energy: -0.011 local terms energy: -26.256091 where: bonds (distance) C4'-P energy: -5.959 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -5.926 flat angles P-C4'-P energy: -5.201 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: 3, replica: 4 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -34.681212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.681212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.681212 (E_RNA) where: Base-Base interactions energy: -8.360 where: short stacking energy: -8.360 Base-Backbone interact. energy: -0.000 local terms energy: -26.320568 where: bonds (distance) C4'-P energy: -5.857 bonds (distance) P-C4' energy: -7.242 flat angles C4'-P-C4' energy: -6.300 flat angles P-C4'-P energy: -4.693 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: 4, replica: 9 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -33.349920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.349920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.349920 (E_RNA) where: Base-Base interactions energy: -6.656 where: short stacking energy: -6.656 Base-Backbone interact. energy: 0.109 local terms energy: -26.802459 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.548 flat angles P-C4'-P energy: -3.441 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: 3 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -34.056453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.056453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.056453 (E_RNA) where: Base-Base interactions energy: -9.643 where: short stacking energy: -9.643 Base-Backbone interact. energy: -0.002 local terms energy: -24.410864 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.774 flat angles P-C4'-P energy: -2.251 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: 6, replica: 7 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -32.738565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.738565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.738565 (E_RNA) where: Base-Base interactions energy: -7.073 where: short stacking energy: -7.073 Base-Backbone interact. energy: -0.011 local terms energy: -25.654445 where: bonds (distance) C4'-P energy: -5.139 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.625 flat angles P-C4'-P energy: -4.195 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: 7, replica: 2 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -32.465851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.465851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.465851 (E_RNA) where: Base-Base interactions energy: -11.820 where: short stacking energy: -11.820 Base-Backbone interact. energy: -0.035 local terms energy: -20.610606 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -5.084 flat angles P-C4'-P energy: -5.227 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: 8, replica: 6 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -26.308123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.308123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.308123 (E_RNA) where: Base-Base interactions energy: -8.970 where: short stacking energy: -8.970 Base-Backbone interact. energy: 0.405 local terms energy: -17.743529 where: bonds (distance) C4'-P energy: -4.618 bonds (distance) P-C4' energy: -5.247 flat angles C4'-P-C4' energy: -2.288 flat angles P-C4'-P energy: -3.419 tors. eta vs tors. theta energy: -2.171 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: 8 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -28.597792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.597792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.597792 (E_RNA) where: Base-Base interactions energy: -7.656 where: short stacking energy: -7.656 Base-Backbone interact. energy: -0.000 local terms energy: -20.941168 where: bonds (distance) C4'-P energy: -5.190 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -5.839 flat angles P-C4'-P energy: -1.441 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: 10, replica: 1 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -33.492801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.492801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.492801 (E_RNA) where: Base-Base interactions energy: -7.085 where: short stacking energy: -7.085 Base-Backbone interact. energy: -0.000 local terms energy: -26.408182 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.018 flat angles P-C4'-P energy: -3.540 tors. eta vs tors. theta energy: -4.877 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: 10 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -41.901155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.901155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.901155 (E_RNA) where: Base-Base interactions energy: -12.090 where: short stacking energy: -12.090 Base-Backbone interact. energy: -0.000 local terms energy: -29.810686 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.349 flat angles P-C4'-P energy: -5.188 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: 2, replica: 5 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -41.777361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.777361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.777361 (E_RNA) where: Base-Base interactions energy: -15.116 where: short stacking energy: -15.116 Base-Backbone interact. energy: -0.000 local terms energy: -26.661332 where: bonds (distance) C4'-P energy: -4.891 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.944 flat angles P-C4'-P energy: -3.974 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: 3, replica: 9 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -35.295473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.295473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.295473 (E_RNA) where: Base-Base interactions energy: -8.701 where: short stacking energy: -8.701 Base-Backbone interact. energy: -0.001 local terms energy: -26.593663 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.954 flat angles P-C4'-P energy: -4.067 tors. eta vs tors. theta energy: -1.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -29.962304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.962304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.962304 (E_RNA) where: Base-Base interactions energy: -8.825 where: short stacking energy: -8.825 Base-Backbone interact. energy: -0.001 local terms energy: -21.136649 where: bonds (distance) C4'-P energy: -2.992 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -7.077 flat angles P-C4'-P energy: -4.035 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: 5, replica: 7 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -32.066506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.066506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.066506 (E_RNA) where: Base-Base interactions energy: -7.908 where: short stacking energy: -7.908 Base-Backbone interact. energy: -0.062 local terms energy: -24.095740 where: bonds (distance) C4'-P energy: -4.643 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -6.952 flat angles P-C4'-P energy: -5.732 tors. eta vs tors. theta energy: 0.741 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: 6, replica: 3 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -31.163617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.163617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.163617 (E_RNA) where: Base-Base interactions energy: -7.237 where: short stacking energy: -7.237 Base-Backbone interact. energy: -0.006 local terms energy: -23.920516 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -6.497 flat angles P-C4'-P energy: -6.117 tors. eta vs tors. theta energy: 2.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -31.128147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.128147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.128147 (E_RNA) where: Base-Base interactions energy: -11.302 where: short stacking energy: -7.458 Base-Backbone interact. energy: -0.043 local terms energy: -19.783925 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -3.315 flat angles C4'-P-C4' energy: -5.639 flat angles P-C4'-P energy: -3.720 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: 8, replica: 2 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -27.718550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.718550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.718550 (E_RNA) where: Base-Base interactions energy: -4.404 where: short stacking energy: -4.404 Base-Backbone interact. energy: -0.080 local terms energy: -23.235275 where: bonds (distance) C4'-P energy: -5.094 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -5.320 flat angles P-C4'-P energy: -4.250 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: 9, replica: 1 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -32.563846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.563846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.563846 (E_RNA) where: Base-Base interactions energy: -8.247 where: short stacking energy: -7.639 Base-Backbone interact. energy: -0.004 local terms energy: -24.313074 where: bonds (distance) C4'-P energy: -3.062 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -5.344 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: 10, replica: 8 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -27.465380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.465380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.465380 (E_RNA) where: Base-Base interactions energy: -7.993 where: short stacking energy: -7.993 Base-Backbone interact. energy: -0.001 local terms energy: -19.471249 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -5.242 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: 1, replica: 10 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -34.854247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.854247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.854247 (E_RNA) where: Base-Base interactions energy: -9.619 where: short stacking energy: -9.835 Base-Backbone interact. energy: -0.236 local terms energy: -24.998724 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -4.443 flat angles P-C4'-P energy: -4.099 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: 2, replica: 9 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -42.075540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.075540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.075540 (E_RNA) where: Base-Base interactions energy: -14.761 where: short stacking energy: -14.761 Base-Backbone interact. energy: 1.446 local terms energy: -28.760097 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.798 flat angles P-C4'-P energy: -5.952 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: 3, replica: 5 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -35.049275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.049275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.049275 (E_RNA) where: Base-Base interactions energy: -7.454 where: short stacking energy: -7.454 Base-Backbone interact. energy: -0.060 local terms energy: -27.535353 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.229 flat angles P-C4'-P energy: -4.765 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: 4, replica: 7 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -37.099493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.099493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.099493 (E_RNA) where: Base-Base interactions energy: -11.158 where: short stacking energy: -11.158 Base-Backbone interact. energy: 0.338 local terms energy: -26.279156 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.987 flat angles P-C4'-P energy: -4.916 tors. eta vs tors. theta energy: -4.796 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: 5, replica: 4 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -31.008881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.008881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.008881 (E_RNA) where: Base-Base interactions energy: -7.548 where: short stacking energy: -7.548 Base-Backbone interact. energy: -0.062 local terms energy: -23.398901 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -4.795 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: 6, replica: 6 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -35.972172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.972172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.972172 (E_RNA) where: Base-Base interactions energy: -10.688 where: short stacking energy: -10.688 Base-Backbone interact. energy: -0.000 local terms energy: -25.283734 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.646 flat angles P-C4'-P energy: -4.113 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: 3 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -32.631671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.631671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.631671 (E_RNA) where: Base-Base interactions energy: -8.240 where: short stacking energy: -8.240 Base-Backbone interact. energy: -0.006 local terms energy: -24.385682 where: bonds (distance) C4'-P energy: -5.989 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.163 flat angles P-C4'-P energy: -4.504 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: 8, replica: 1 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -33.188101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.188101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.188101 (E_RNA) where: Base-Base interactions energy: -7.381 where: short stacking energy: -7.381 Base-Backbone interact. energy: -0.002 local terms energy: -25.805672 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -4.402 flat angles P-C4'-P energy: -4.982 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: 9, replica: 2 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -29.099778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.099778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.099778 (E_RNA) where: Base-Base interactions energy: -7.342 where: short stacking energy: -7.342 Base-Backbone interact. energy: -0.004 local terms energy: -21.753662 where: bonds (distance) C4'-P energy: -3.682 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.648 flat angles P-C4'-P energy: -5.844 tors. eta vs tors. theta energy: -2.874 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: 10, replica: 8 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -26.336800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.336800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.336800 (E_RNA) where: Base-Base interactions energy: -7.979 where: short stacking energy: -7.979 Base-Backbone interact. energy: -0.018 local terms energy: -18.340166 where: bonds (distance) C4'-P energy: -4.804 bonds (distance) P-C4' energy: -6.019 flat angles C4'-P-C4' energy: -4.416 flat angles P-C4'-P energy: -1.598 tors. eta vs tors. theta energy: -1.502 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: 1, replica: 9 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -39.117781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.117781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.117781 (E_RNA) where: Base-Base interactions energy: -11.771 where: short stacking energy: -11.771 Base-Backbone interact. energy: -0.227 local terms energy: -27.120433 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.688 flat angles P-C4'-P energy: -4.930 tors. eta vs tors. theta energy: -1.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -35.642665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.642665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.642665 (E_RNA) where: Base-Base interactions energy: -9.432 where: short stacking energy: -9.432 Base-Backbone interact. energy: 0.240 local terms energy: -26.451297 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -5.123 tors. eta vs tors. theta energy: -1.797 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: 3, replica: 7 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -36.362831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.362831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.362831 (E_RNA) where: Base-Base interactions energy: -6.961 where: short stacking energy: -6.961 Base-Backbone interact. energy: -0.012 local terms energy: -29.389520 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -7.710 flat angles P-C4'-P energy: -4.822 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: 4, replica: 5 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -38.936613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.936613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.936613 (E_RNA) where: Base-Base interactions energy: -12.164 where: short stacking energy: -12.164 Base-Backbone interact. energy: -0.012 local terms energy: -26.760724 where: bonds (distance) C4'-P energy: -5.371 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -7.142 flat angles P-C4'-P energy: -5.401 tors. eta vs tors. theta energy: -1.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -37.730813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.730813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.730813 (E_RNA) where: Base-Base interactions energy: -13.332 where: short stacking energy: -12.116 Base-Backbone interact. energy: -0.003 local terms energy: -24.395733 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -5.857 flat angles P-C4'-P energy: -4.178 tors. eta vs tors. theta energy: -1.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -39.866792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.866792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.866792 (E_RNA) where: Base-Base interactions energy: -12.751 where: short stacking energy: -12.751 Base-Backbone interact. energy: -0.000 local terms energy: -27.115418 where: bonds (distance) C4'-P energy: -6.515 bonds (distance) P-C4' energy: -5.557 flat angles C4'-P-C4' energy: -7.116 flat angles P-C4'-P energy: -3.187 tors. eta vs tors. theta energy: -4.740 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: 7, replica: 1 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -30.951796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.951796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.951796 (E_RNA) where: Base-Base interactions energy: -6.718 where: short stacking energy: -6.718 Base-Backbone interact. energy: -0.000 local terms energy: -24.233598 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -3.071 flat angles P-C4'-P energy: -4.958 tors. eta vs tors. theta energy: -2.410 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: 3 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -27.422836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.422836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.422836 (E_RNA) where: Base-Base interactions energy: -11.050 where: short stacking energy: -8.561 Base-Backbone interact. energy: -0.080 local terms energy: -16.292592 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -3.816 flat angles P-C4'-P energy: -2.944 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: 9, replica: 8 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -26.831212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.831212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.831212 (E_RNA) where: Base-Base interactions energy: -6.487 where: short stacking energy: -6.487 Base-Backbone interact. energy: -0.003 local terms energy: -20.340705 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -4.548 flat angles C4'-P-C4' energy: -5.254 flat angles P-C4'-P energy: -4.957 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: 10, replica: 2 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -30.296853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.296853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.296853 (E_RNA) where: Base-Base interactions energy: -5.608 where: short stacking energy: -5.608 Base-Backbone interact. energy: -0.068 local terms energy: -24.620831 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -7.642 flat angles P-C4'-P energy: -3.046 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: 1, replica: 9 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -40.981303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.981303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.981303 (E_RNA) where: Base-Base interactions energy: -11.979 where: short stacking energy: -10.527 Base-Backbone interact. energy: -0.000 local terms energy: -29.001807 where: bonds (distance) C4'-P energy: -4.456 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -6.870 flat angles P-C4'-P energy: -4.952 tors. eta vs tors. theta energy: -7.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -37.277969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.277969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.277969 (E_RNA) where: Base-Base interactions energy: -12.138 where: short stacking energy: -11.028 Base-Backbone interact. energy: 0.604 local terms energy: -25.743869 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -6.330 flat angles C4'-P-C4' energy: -5.109 flat angles P-C4'-P energy: -3.706 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: 3, replica: 10 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -34.833040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.833040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.833040 (E_RNA) where: Base-Base interactions energy: -10.712 where: short stacking energy: -10.712 Base-Backbone interact. energy: -0.418 local terms energy: -23.703083 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.917 flat angles P-C4'-P energy: -4.629 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: 4, replica: 5 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -33.104180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.104180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.104180 (E_RNA) where: Base-Base interactions energy: -6.867 where: short stacking energy: -6.867 Base-Backbone interact. energy: -0.004 local terms energy: -26.232463 where: bonds (distance) C4'-P energy: -6.001 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.824 flat angles P-C4'-P energy: -4.279 tors. eta vs tors. theta energy: -2.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -33.079392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.079392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.079392 (E_RNA) where: Base-Base interactions energy: -6.914 where: short stacking energy: -6.914 Base-Backbone interact. energy: -0.000 local terms energy: -26.165464 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -4.351 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: 6, replica: 4 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -34.683793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.683793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.683793 (E_RNA) where: Base-Base interactions energy: -8.284 where: short stacking energy: -8.284 Base-Backbone interact. energy: -0.504 local terms energy: -25.895724 where: bonds (distance) C4'-P energy: -6.291 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.441 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: -3.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -30.108469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.108469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.108469 (E_RNA) where: Base-Base interactions energy: -9.366 where: short stacking energy: -9.366 Base-Backbone interact. energy: -0.002 local terms energy: -20.740124 where: bonds (distance) C4'-P energy: -2.013 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -4.584 flat angles P-C4'-P energy: -5.708 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: 8, replica: 8 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -34.205452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.205452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.205452 (E_RNA) where: Base-Base interactions energy: -6.761 where: short stacking energy: -6.761 Base-Backbone interact. energy: -0.000 local terms energy: -27.444423 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.706 flat angles P-C4'-P energy: -4.232 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: 9, replica: 3 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -29.207548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.207548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.207548 (E_RNA) where: Base-Base interactions energy: -8.622 where: short stacking energy: -5.329 Base-Backbone interact. energy: -0.130 local terms energy: -20.456253 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -2.814 flat angles P-C4'-P energy: -4.674 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: 10, replica: 2 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -30.721954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.721954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.721954 (E_RNA) where: Base-Base interactions energy: -7.426 where: short stacking energy: -7.426 Base-Backbone interact. energy: -0.055 local terms energy: -23.241098 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -7.048 flat angles P-C4'-P energy: -4.849 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: 1, replica: 7 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -42.346196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.346196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.346196 (E_RNA) where: Base-Base interactions energy: -13.252 where: short stacking energy: -13.252 Base-Backbone interact. energy: -0.000 local terms energy: -29.094454 where: bonds (distance) C4'-P energy: -4.561 bonds (distance) P-C4' energy: -6.991 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -4.883 tors. eta vs tors. theta energy: -6.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -38.829723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.829723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.829723 (E_RNA) where: Base-Base interactions energy: -8.285 where: short stacking energy: -8.285 Base-Backbone interact. energy: -0.000 local terms energy: -30.544690 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -6.845 flat angles P-C4'-P energy: -5.015 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: 3, replica: 5 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -39.701603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.701603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.701603 (E_RNA) where: Base-Base interactions energy: -12.249 where: short stacking energy: -12.249 Base-Backbone interact. energy: -0.080 local terms energy: -27.373341 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -6.755 flat angles P-C4'-P energy: -6.121 tors. eta vs tors. theta energy: -1.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -33.490632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.490632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.490632 (E_RNA) where: Base-Base interactions energy: -3.941 where: short stacking energy: -3.941 Base-Backbone interact. energy: -0.004 local terms energy: -29.545365 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.549 flat angles P-C4'-P energy: -5.314 tors. eta vs tors. theta energy: -4.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -32.992027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.992027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.992027 (E_RNA) where: Base-Base interactions energy: -8.345 where: short stacking energy: -8.345 Base-Backbone interact. energy: -0.078 local terms energy: -24.569029 where: bonds (distance) C4'-P energy: -4.473 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.594 flat angles P-C4'-P energy: -3.912 tors. eta vs tors. theta energy: -2.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -34.588232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.588232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.588232 (E_RNA) where: Base-Base interactions energy: -10.817 where: short stacking energy: -10.817 Base-Backbone interact. energy: -0.001 local terms energy: -23.770853 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -3.741 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: 7, replica: 1 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -31.515278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.515278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.515278 (E_RNA) where: Base-Base interactions energy: -7.635 where: short stacking energy: -7.635 Base-Backbone interact. energy: -0.002 local terms energy: -23.878920 where: bonds (distance) C4'-P energy: -4.669 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.091 flat angles P-C4'-P energy: -5.312 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: 8, replica: 8 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -33.000782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.000782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.000782 (E_RNA) where: Base-Base interactions energy: -11.811 where: short stacking energy: -11.811 Base-Backbone interact. energy: -0.001 local terms energy: -21.187886 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -6.377 flat angles P-C4'-P energy: -2.323 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: 9, replica: 2 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -28.445738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.445738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.445738 (E_RNA) where: Base-Base interactions energy: -6.945 where: short stacking energy: -6.945 Base-Backbone interact. energy: -0.248 local terms energy: -21.252683 where: bonds (distance) C4'-P energy: -4.356 bonds (distance) P-C4' energy: -6.222 flat angles C4'-P-C4' energy: -6.553 flat angles P-C4'-P energy: -5.941 tors. eta vs tors. theta energy: 1.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -30.213874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.213874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.213874 (E_RNA) where: Base-Base interactions energy: -7.009 where: short stacking energy: -7.009 Base-Backbone interact. energy: -0.002 local terms energy: -23.203602 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -4.789 flat angles P-C4'-P energy: -5.171 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: 1, replica: 7 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -43.157299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.157299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.157299 (E_RNA) where: Base-Base interactions energy: -16.633 where: short stacking energy: -16.633 Base-Backbone interact. energy: -0.072 local terms energy: -26.451846 where: bonds (distance) C4'-P energy: -4.842 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -6.492 flat angles P-C4'-P energy: -4.068 tors. eta vs tors. theta energy: -5.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -36.676214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.676214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.676214 (E_RNA) where: Base-Base interactions energy: -15.623 where: short stacking energy: -9.111 Base-Backbone interact. energy: -0.385 local terms energy: -20.668538 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -6.168 flat angles P-C4'-P energy: -2.523 tors. eta vs tors. theta energy: 1.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -39.751631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.751631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.751631 (E_RNA) where: Base-Base interactions energy: -13.305 where: short stacking energy: -13.305 Base-Backbone interact. energy: -0.000 local terms energy: -26.446183 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.939 flat angles P-C4'-P energy: -3.297 tors. eta vs tors. theta energy: -3.319 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: 4, replica: 4 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -33.691314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.691314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.691314 (E_RNA) where: Base-Base interactions energy: -7.982 where: short stacking energy: -7.982 Base-Backbone interact. energy: -0.044 local terms energy: -25.665448 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.135 flat angles P-C4'-P energy: -4.954 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: 5, replica: 10 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -31.200454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.200454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.200454 (E_RNA) where: Base-Base interactions energy: -6.889 where: short stacking energy: -6.889 Base-Backbone interact. energy: -0.001 local terms energy: -24.310623 where: bonds (distance) C4'-P energy: -6.265 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.882 flat angles P-C4'-P energy: -2.836 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: 1 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -34.206965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.206965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.206965 (E_RNA) where: Base-Base interactions energy: -5.490 where: short stacking energy: -5.490 Base-Backbone interact. energy: -0.095 local terms energy: -28.621897 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.894 flat angles P-C4'-P energy: -5.119 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: 7, replica: 6 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -29.474969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.474969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.474969 (E_RNA) where: Base-Base interactions energy: -11.669 where: short stacking energy: -11.669 Base-Backbone interact. energy: -0.099 local terms energy: -17.706698 where: bonds (distance) C4'-P energy: -4.378 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -5.108 flat angles P-C4'-P energy: -0.706 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: 8, replica: 2 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -31.540552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.540552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.540552 (E_RNA) where: Base-Base interactions energy: -9.622 where: short stacking energy: -9.622 Base-Backbone interact. energy: -0.106 local terms energy: -21.812450 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.631 flat angles C4'-P-C4' energy: -6.275 flat angles P-C4'-P energy: -4.706 tors. eta vs tors. theta energy: 2.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -30.174093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.174093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.174093 (E_RNA) where: Base-Base interactions energy: -6.631 where: short stacking energy: -6.631 Base-Backbone interact. energy: -0.279 local terms energy: -23.264406 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.688 flat angles P-C4'-P energy: -3.649 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: 10, replica: 3 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -27.989169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.989169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.989169 (E_RNA) where: Base-Base interactions energy: -7.520 where: short stacking energy: -7.520 Base-Backbone interact. energy: -0.083 local terms energy: -20.386008 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -4.114 flat angles C4'-P-C4' energy: -5.954 flat angles P-C4'-P energy: -4.287 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: 1, replica: 5 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -37.978433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.978433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.978433 (E_RNA) where: Base-Base interactions energy: -7.268 where: short stacking energy: -7.268 Base-Backbone interact. energy: -0.032 local terms energy: -30.677777 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.925 flat angles P-C4'-P energy: -5.568 tors. eta vs tors. theta energy: -4.187 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: 7 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -37.879664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.879664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.879664 (E_RNA) where: Base-Base interactions energy: -9.548 where: short stacking energy: -9.548 Base-Backbone interact. energy: -0.003 local terms energy: -28.329144 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -5.152 tors. eta vs tors. theta energy: -2.910 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: 134 Temperature: 1.000000 Total energy: -38.308108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.308108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.308108 (E_RNA) where: Base-Base interactions energy: -11.763 where: short stacking energy: -9.619 Base-Backbone interact. energy: -0.129 local terms energy: -26.415915 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -5.446 flat angles P-C4'-P energy: -5.040 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: 4, replica: 9 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -32.621392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.621392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.621392 (E_RNA) where: Base-Base interactions energy: -7.379 where: short stacking energy: -7.379 Base-Backbone interact. energy: -0.004 local terms energy: -25.238579 where: bonds (distance) C4'-P energy: -5.620 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -7.193 flat angles P-C4'-P energy: -4.303 tors. eta vs tors. theta energy: -0.582 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: 1 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -35.112617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.112617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.112617 (E_RNA) where: Base-Base interactions energy: -13.485 where: short stacking energy: -13.485 Base-Backbone interact. energy: -0.018 local terms energy: -21.609823 where: bonds (distance) C4'-P energy: -4.188 bonds (distance) P-C4' energy: -4.501 flat angles C4'-P-C4' energy: -7.681 flat angles P-C4'-P energy: -2.270 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: 6, replica: 10 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -30.508742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.508742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.508742 (E_RNA) where: Base-Base interactions energy: -7.374 where: short stacking energy: -7.374 Base-Backbone interact. energy: -0.370 local terms energy: -22.764764 where: bonds (distance) C4'-P energy: -4.916 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.441 flat angles P-C4'-P energy: -2.991 tors. eta vs tors. theta energy: -1.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -31.784750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.784750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.784750 (E_RNA) where: Base-Base interactions energy: -10.788 where: short stacking energy: -10.788 Base-Backbone interact. energy: -0.001 local terms energy: -20.995336 where: bonds (distance) C4'-P energy: -4.866 bonds (distance) P-C4' energy: -4.959 flat angles C4'-P-C4' energy: -4.969 flat angles P-C4'-P energy: -3.523 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: 8, replica: 6 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -32.472661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.472661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.472661 (E_RNA) where: Base-Base interactions energy: -6.510 where: short stacking energy: -7.397 Base-Backbone interact. energy: -0.000 local terms energy: -25.962756 where: bonds (distance) C4'-P energy: -6.125 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.613 flat angles P-C4'-P energy: -5.294 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: 9, replica: 3 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -35.042902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.042902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.042902 (E_RNA) where: Base-Base interactions energy: -7.837 where: short stacking energy: -7.837 Base-Backbone interact. energy: -0.004 local terms energy: -27.202340 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.970 flat angles P-C4'-P energy: -4.060 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: 8 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -29.033397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.033397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.033397 (E_RNA) where: Base-Base interactions energy: -6.809 where: short stacking energy: -3.792 Base-Backbone interact. energy: -0.036 local terms energy: -22.188337 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.441 flat angles P-C4'-P energy: -3.429 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: 1, replica: 5 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -41.519472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.519472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.519472 (E_RNA) where: Base-Base interactions energy: -11.478 where: short stacking energy: -11.478 Base-Backbone interact. energy: -0.001 local terms energy: -30.040615 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -6.069 flat angles C4'-P-C4' energy: -6.615 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: -5.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -37.065134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.065134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.065134 (E_RNA) where: Base-Base interactions energy: -11.684 where: short stacking energy: -11.684 Base-Backbone interact. energy: -0.002 local terms energy: -25.379857 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -3.858 flat angles P-C4'-P energy: -4.805 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: 3, replica: 7 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -31.592891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.592891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.592891 (E_RNA) where: Base-Base interactions energy: -10.184 where: short stacking energy: -10.184 Base-Backbone interact. energy: -0.000 local terms energy: -21.408497 where: bonds (distance) C4'-P energy: -5.235 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: -3.220 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: 4, replica: 1 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -38.283851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.283851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.283851 (E_RNA) where: Base-Base interactions energy: -13.387 where: short stacking energy: -13.387 Base-Backbone interact. energy: -0.000 local terms energy: -24.897017 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.905 flat angles P-C4'-P energy: -4.069 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: 5, replica: 9 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -39.678878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.678878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.678878 (E_RNA) where: Base-Base interactions energy: -14.597 where: short stacking energy: -14.597 Base-Backbone interact. energy: -0.081 local terms energy: -25.000972 where: bonds (distance) C4'-P energy: -3.347 bonds (distance) P-C4' energy: -6.034 flat angles C4'-P-C4' energy: -5.877 flat angles P-C4'-P energy: -6.002 tors. eta vs tors. theta energy: -3.741 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: 6, replica: 2 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -32.128648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.128648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.128648 (E_RNA) where: Base-Base interactions energy: -10.927 where: short stacking energy: -10.225 Base-Backbone interact. energy: -0.004 local terms energy: -21.197073 where: bonds (distance) C4'-P energy: -4.705 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.218 flat angles P-C4'-P energy: -4.414 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: 7, replica: 10 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -31.522066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.522066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.522066 (E_RNA) where: Base-Base interactions energy: -8.030 where: short stacking energy: -8.030 Base-Backbone interact. energy: -0.001 local terms energy: -23.490976 where: bonds (distance) C4'-P energy: -5.703 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -3.660 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: 8, replica: 3 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -30.418640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.418640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.418640 (E_RNA) where: Base-Base interactions energy: -4.369 where: short stacking energy: -4.369 Base-Backbone interact. energy: -0.001 local terms energy: -26.049394 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -3.417 flat angles P-C4'-P energy: -5.035 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: 9, replica: 6 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -30.855388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.855388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.855388 (E_RNA) where: Base-Base interactions energy: -8.337 where: short stacking energy: -8.337 Base-Backbone interact. energy: -0.001 local terms energy: -22.517388 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.622 flat angles P-C4'-P energy: -4.520 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: 10, replica: 8 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -27.034052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.034052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.034052 (E_RNA) where: Base-Base interactions energy: -5.450 where: short stacking energy: -5.450 Base-Backbone interact. energy: -0.078 local terms energy: -21.506182 where: bonds (distance) C4'-P energy: -5.794 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -6.711 flat angles P-C4'-P energy: -1.184 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: 1, replica: 4 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -40.353315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.353315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.353315 (E_RNA) where: Base-Base interactions energy: -12.471 where: short stacking energy: -12.471 Base-Backbone interact. energy: -0.054 local terms energy: -27.828803 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.717 flat angles P-C4'-P energy: -3.780 tors. eta vs tors. theta energy: -3.182 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: 2, replica: 5 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -36.020868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.020868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.020868 (E_RNA) where: Base-Base interactions energy: -8.318 where: short stacking energy: -8.318 Base-Backbone interact. energy: -0.056 local terms energy: -27.646682 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.045 flat angles P-C4'-P energy: -4.771 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: 3, replica: 1 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -37.782967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.782967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.782967 (E_RNA) where: Base-Base interactions energy: -11.449 where: short stacking energy: -11.449 Base-Backbone interact. energy: -0.088 local terms energy: -26.245512 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.256 flat angles C4'-P-C4' energy: -5.175 flat angles P-C4'-P energy: -3.983 tors. eta vs tors. theta energy: -2.924 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: 4, replica: 7 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -31.243556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.243556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.243556 (E_RNA) where: Base-Base interactions energy: -9.753 where: short stacking energy: -9.753 Base-Backbone interact. energy: -0.000 local terms energy: -21.490503 where: bonds (distance) C4'-P energy: -5.363 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -5.085 flat angles P-C4'-P energy: -5.008 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: 5, replica: 2 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -34.891376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.891376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.891376 (E_RNA) where: Base-Base interactions energy: -11.239 where: short stacking energy: -11.239 Base-Backbone interact. energy: -0.004 local terms energy: -23.648085 where: bonds (distance) C4'-P energy: -6.033 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -4.354 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: 6, replica: 9 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -30.547037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.547037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.547037 (E_RNA) where: Base-Base interactions energy: -5.993 where: short stacking energy: -5.993 Base-Backbone interact. energy: -0.093 local terms energy: -24.460825 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -5.185 flat angles C4'-P-C4' energy: -6.622 flat angles P-C4'-P energy: -4.372 tors. eta vs tors. theta energy: -2.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -31.744517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.744517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.744517 (E_RNA) where: Base-Base interactions energy: -11.730 where: short stacking energy: -11.730 Base-Backbone interact. energy: -0.038 local terms energy: -19.976686 where: bonds (distance) C4'-P energy: -5.893 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -2.315 flat angles P-C4'-P energy: -1.687 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: 8, replica: 10 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -30.475493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.475493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.475493 (E_RNA) where: Base-Base interactions energy: -10.326 where: short stacking energy: -10.326 Base-Backbone interact. energy: -0.361 local terms energy: -19.788945 where: bonds (distance) C4'-P energy: -3.509 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -4.274 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: 9, replica: 8 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -27.648927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.648927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.648927 (E_RNA) where: Base-Base interactions energy: -9.119 where: short stacking energy: -9.119 Base-Backbone interact. energy: -0.000 local terms energy: -18.529501 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -5.395 flat angles C4'-P-C4' energy: -5.213 flat angles P-C4'-P energy: -1.766 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: 10, replica: 6 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -27.980216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.980216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.980216 (E_RNA) where: Base-Base interactions energy: -8.117 where: short stacking energy: -8.117 Base-Backbone interact. energy: -0.012 local terms energy: -19.851603 where: bonds (distance) C4'-P energy: -5.596 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -2.059 flat angles P-C4'-P energy: -3.842 tors. eta vs tors. theta energy: -0.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -37.601266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.601266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.601266 (E_RNA) where: Base-Base interactions energy: -11.462 where: short stacking energy: -10.905 Base-Backbone interact. energy: 0.240 local terms energy: -26.379211 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.801 flat angles P-C4'-P energy: -3.755 tors. eta vs tors. theta energy: -2.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -35.688928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.688928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.688928 (E_RNA) where: Base-Base interactions energy: -9.632 where: short stacking energy: -8.508 Base-Backbone interact. energy: -0.111 local terms energy: -25.945624 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.575 flat angles P-C4'-P energy: -4.854 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: 3, replica: 5 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -41.006138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.006138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.006138 (E_RNA) where: Base-Base interactions energy: -12.119 where: short stacking energy: -12.119 Base-Backbone interact. energy: -0.765 local terms energy: -28.121894 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.511 flat angles P-C4'-P energy: -4.458 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: 4, replica: 2 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -33.281786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.281786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.281786 (E_RNA) where: Base-Base interactions energy: -8.311 where: short stacking energy: -7.754 Base-Backbone interact. energy: -0.925 local terms energy: -24.045513 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -6.606 flat angles P-C4'-P energy: -3.826 tors. eta vs tors. theta energy: -0.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -34.639058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.639058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.639058 (E_RNA) where: Base-Base interactions energy: -10.706 where: short stacking energy: -10.706 Base-Backbone interact. energy: -0.064 local terms energy: -23.869475 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.213 flat angles P-C4'-P energy: -4.803 tors. eta vs tors. theta energy: -3.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -35.162362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.162362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.162362 (E_RNA) where: Base-Base interactions energy: -10.830 where: short stacking energy: -10.830 Base-Backbone interact. energy: -0.231 local terms energy: -24.101871 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -6.551 flat angles P-C4'-P energy: -4.749 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: 7, replica: 9 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -31.140898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.140898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.140898 (E_RNA) where: Base-Base interactions energy: -2.892 where: short stacking energy: -2.892 Base-Backbone interact. energy: -0.098 local terms energy: -28.150749 where: bonds (distance) C4'-P energy: -6.572 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -6.907 flat angles P-C4'-P energy: -5.767 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: 8, replica: 8 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -34.840920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.840920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.840920 (E_RNA) where: Base-Base interactions energy: -6.206 where: short stacking energy: -6.206 Base-Backbone interact. energy: -0.004 local terms energy: -28.631032 where: bonds (distance) C4'-P energy: -5.849 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.436 flat angles P-C4'-P energy: -5.268 tors. eta vs tors. theta energy: -5.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -28.755755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.755755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.755755 (E_RNA) where: Base-Base interactions energy: -9.545 where: short stacking energy: -9.545 Base-Backbone interact. energy: -0.002 local terms energy: -19.208123 where: bonds (distance) C4'-P energy: -4.850 bonds (distance) P-C4' energy: -6.010 flat angles C4'-P-C4' energy: -5.565 flat angles P-C4'-P energy: -3.457 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: 10, replica: 6 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -28.268684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.268684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.268684 (E_RNA) where: Base-Base interactions energy: -5.620 where: short stacking energy: -5.620 Base-Backbone interact. energy: -0.009 local terms energy: -22.639898 where: bonds (distance) C4'-P energy: -5.379 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.129 flat angles P-C4'-P energy: -2.620 tors. eta vs tors. theta energy: -1.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -36.267170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.267170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.267170 (E_RNA) where: Base-Base interactions energy: -10.998 where: short stacking energy: -10.998 Base-Backbone interact. energy: 0.597 local terms energy: -25.865436 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.225 flat angles C4'-P-C4' energy: -4.156 flat angles P-C4'-P energy: -5.281 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: 2, replica: 4 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -41.157666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.157666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.157666 (E_RNA) where: Base-Base interactions energy: -16.387 where: short stacking energy: -16.387 Base-Backbone interact. energy: -0.097 local terms energy: -24.673599 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -4.800 flat angles P-C4'-P energy: -2.930 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: 3, replica: 2 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -40.007970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.007970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.007970 (E_RNA) where: Base-Base interactions energy: -14.196 where: short stacking energy: -14.196 Base-Backbone interact. energy: -0.086 local terms energy: -25.725720 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -5.462 flat angles C4'-P-C4' energy: -6.374 flat angles P-C4'-P energy: -3.269 tors. eta vs tors. theta energy: -4.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -35.294816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.294816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.294816 (E_RNA) where: Base-Base interactions energy: -7.408 where: short stacking energy: -7.654 Base-Backbone interact. energy: -0.036 local terms energy: -27.849966 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -6.823 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -5.775 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: 5, replica: 3 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -33.814738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.814738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.814738 (E_RNA) where: Base-Base interactions energy: -9.924 where: short stacking energy: -9.924 Base-Backbone interact. energy: -0.010 local terms energy: -23.880526 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -1.888 flat angles P-C4'-P energy: -4.979 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: 6, replica: 7 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -32.151106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.151106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.151106 (E_RNA) where: Base-Base interactions energy: -7.907 where: short stacking energy: -7.907 Base-Backbone interact. energy: -0.069 local terms energy: -24.175382 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -5.752 flat angles P-C4'-P energy: -3.576 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: 7, replica: 8 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -32.390325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.390325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.390325 (E_RNA) where: Base-Base interactions energy: -6.762 where: short stacking energy: -6.762 Base-Backbone interact. energy: -0.002 local terms energy: -25.626394 where: bonds (distance) C4'-P energy: -6.598 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -7.143 flat angles P-C4'-P energy: -3.128 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: 8, replica: 9 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -29.515328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.515328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.515328 (E_RNA) where: Base-Base interactions energy: -3.493 where: short stacking energy: -3.493 Base-Backbone interact. energy: -0.182 local terms energy: -25.839993 where: bonds (distance) C4'-P energy: -4.279 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.953 flat angles P-C4'-P energy: -5.308 tors. eta vs tors. theta energy: -2.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -26.756112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.756112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.756112 (E_RNA) where: Base-Base interactions energy: -8.059 where: short stacking energy: -8.059 Base-Backbone interact. energy: -0.004 local terms energy: -18.693050 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -2.490 flat angles P-C4'-P energy: -3.586 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: 10, replica: 10 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -26.557670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.557670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.557670 (E_RNA) where: Base-Base interactions energy: -6.883 where: short stacking energy: -6.883 Base-Backbone interact. energy: -0.016 local terms energy: -19.659440 where: bonds (distance) C4'-P energy: -2.370 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.289 flat angles P-C4'-P energy: -4.137 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: 1 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -40.708039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.708039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.708039 (E_RNA) where: Base-Base interactions energy: -15.206 where: short stacking energy: -15.206 Base-Backbone interact. energy: -0.000 local terms energy: -25.501891 where: bonds (distance) C4'-P energy: -4.490 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.139 flat angles P-C4'-P energy: -4.282 tors. eta vs tors. theta energy: -3.795 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: 2 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -36.053607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.053607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.053607 (E_RNA) where: Base-Base interactions energy: -11.943 where: short stacking energy: -11.943 Base-Backbone interact. energy: -0.000 local terms energy: -24.110598 where: bonds (distance) C4'-P energy: -6.021 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -4.640 flat angles P-C4'-P energy: -4.817 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: 3, replica: 4 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -33.967029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.967029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.967029 (E_RNA) where: Base-Base interactions energy: -7.967 where: short stacking energy: -7.967 Base-Backbone interact. energy: -0.005 local terms energy: -25.994971 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.726 flat angles P-C4'-P energy: -5.612 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: 3 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -39.177804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.177804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.177804 (E_RNA) where: Base-Base interactions energy: -12.877 where: short stacking energy: -12.877 Base-Backbone interact. energy: -0.099 local terms energy: -26.202450 where: bonds (distance) C4'-P energy: -5.607 bonds (distance) P-C4' energy: -5.742 flat angles C4'-P-C4' energy: -7.259 flat angles P-C4'-P energy: -5.002 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: 5, replica: 5 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -34.825351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.825351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.825351 (E_RNA) where: Base-Base interactions energy: -11.888 where: short stacking energy: -11.888 Base-Backbone interact. energy: -0.000 local terms energy: -22.937325 where: bonds (distance) C4'-P energy: -4.883 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.141 flat angles P-C4'-P energy: -2.217 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: 6, replica: 8 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -32.717674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.717674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.717674 (E_RNA) where: Base-Base interactions energy: -9.153 where: short stacking energy: -9.153 Base-Backbone interact. energy: -0.141 local terms energy: -23.423534 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.718 flat angles C4'-P-C4' energy: -5.771 flat angles P-C4'-P energy: -2.406 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: 139 Temperature: 1.200000 Total energy: -31.415017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.415017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.415017 (E_RNA) where: Base-Base interactions energy: -6.997 where: short stacking energy: -5.802 Base-Backbone interact. energy: -0.076 local terms energy: -24.341827 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -5.070 flat angles P-C4'-P energy: -4.244 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: 8, replica: 6 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -27.664930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.664930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.664930 (E_RNA) where: Base-Base interactions energy: -6.521 where: short stacking energy: -6.521 Base-Backbone interact. energy: -0.199 local terms energy: -20.944086 where: bonds (distance) C4'-P energy: -4.738 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -1.733 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: 9, replica: 9 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -31.013537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.013537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.013537 (E_RNA) where: Base-Base interactions energy: -6.728 where: short stacking energy: -6.728 Base-Backbone interact. energy: -0.041 local terms energy: -24.244828 where: bonds (distance) C4'-P energy: -3.373 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -6.058 flat angles P-C4'-P energy: -6.111 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: 10, replica: 10 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -30.723948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.723948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.723948 (E_RNA) where: Base-Base interactions energy: -4.026 where: short stacking energy: -4.026 Base-Backbone interact. energy: -0.005 local terms energy: -26.693068 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -5.126 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: 1, replica: 2 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -38.400607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.400607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.400607 (E_RNA) where: Base-Base interactions energy: -12.208 where: short stacking energy: -12.208 Base-Backbone interact. energy: -0.000 local terms energy: -26.192548 where: bonds (distance) C4'-P energy: -5.007 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -7.573 flat angles P-C4'-P energy: -5.102 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: 2, replica: 1 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -41.804545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.804545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.804545 (E_RNA) where: Base-Base interactions energy: -14.289 where: short stacking energy: -14.289 Base-Backbone interact. energy: -0.000 local terms energy: -27.515425 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.832 flat angles P-C4'-P energy: -4.336 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: 3, replica: 3 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -34.194823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.194823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.194823 (E_RNA) where: Base-Base interactions energy: -8.661 where: short stacking energy: -9.223 Base-Backbone interact. energy: -0.000 local terms energy: -25.533789 where: bonds (distance) C4'-P energy: -5.317 bonds (distance) P-C4' energy: -6.526 flat angles C4'-P-C4' energy: -6.552 flat angles P-C4'-P energy: -4.194 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: 4, replica: 4 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -37.737000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.737000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.737000 (E_RNA) where: Base-Base interactions energy: -10.422 where: short stacking energy: -10.422 Base-Backbone interact. energy: -0.010 local terms energy: -27.305320 where: bonds (distance) C4'-P energy: -5.227 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.177 flat angles P-C4'-P energy: -4.687 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: 5, replica: 8 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -33.846434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.846434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.846434 (E_RNA) where: Base-Base interactions energy: -11.202 where: short stacking energy: -11.202 Base-Backbone interact. energy: -0.053 local terms energy: -22.590902 where: bonds (distance) C4'-P energy: -4.722 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.183 flat angles P-C4'-P energy: -3.613 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: 6, replica: 5 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -30.140861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.140861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.140861 (E_RNA) where: Base-Base interactions energy: -9.203 where: short stacking energy: -8.977 Base-Backbone interact. energy: -0.128 local terms energy: -20.809950 where: bonds (distance) C4'-P energy: -5.725 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -4.243 flat angles P-C4'-P energy: -1.893 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: 7, replica: 6 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -33.311833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.311833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.311833 (E_RNA) where: Base-Base interactions energy: -7.853 where: short stacking energy: -7.853 Base-Backbone interact. energy: -0.011 local terms energy: -25.447831 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.188 flat angles P-C4'-P energy: -3.407 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: 8, replica: 7 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -33.005997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.005997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.005997 (E_RNA) where: Base-Base interactions energy: -10.797 where: short stacking energy: -10.797 Base-Backbone interact. energy: -0.004 local terms energy: -22.205049 where: bonds (distance) C4'-P energy: -4.783 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -4.861 flat angles P-C4'-P energy: -3.937 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: 9, replica: 10 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -28.667976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.667976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.667976 (E_RNA) where: Base-Base interactions energy: -4.370 where: short stacking energy: -4.370 Base-Backbone interact. energy: 0.246 local terms energy: -24.544707 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.460 flat angles P-C4'-P energy: -3.310 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: 10, replica: 9 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -26.052526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.052526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.052526 (E_RNA) where: Base-Base interactions energy: -2.795 where: short stacking energy: -2.795 Base-Backbone interact. energy: -0.054 local terms energy: -23.203615 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.481 flat angles P-C4'-P energy: -4.994 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: 1, replica: 2 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -39.748826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.748826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.748826 (E_RNA) where: Base-Base interactions energy: -11.772 where: short stacking energy: -11.772 Base-Backbone interact. energy: -0.001 local terms energy: -27.975956 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.418 flat angles P-C4'-P energy: -5.204 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: 2, replica: 3 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -40.589281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.589281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.589281 (E_RNA) where: Base-Base interactions energy: -12.253 where: short stacking energy: -12.253 Base-Backbone interact. energy: -0.000 local terms energy: -28.335964 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.399 flat angles P-C4'-P energy: -3.113 tors. eta vs tors. theta energy: -4.306 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: 1 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -38.713422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.713422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.713422 (E_RNA) where: Base-Base interactions energy: -10.236 where: short stacking energy: -10.236 Base-Backbone interact. energy: -0.000 local terms energy: -28.477016 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -5.989 flat angles C4'-P-C4' energy: -5.931 flat angles P-C4'-P energy: -4.790 tors. eta vs tors. theta energy: -5.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -34.312140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.312140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.312140 (E_RNA) where: Base-Base interactions energy: -8.626 where: short stacking energy: -8.626 Base-Backbone interact. energy: -0.000 local terms energy: -25.685795 where: bonds (distance) C4'-P energy: -6.572 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -4.951 flat angles P-C4'-P energy: -3.969 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: 5, replica: 4 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -29.753627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.753627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.753627 (E_RNA) where: Base-Base interactions energy: -6.894 where: short stacking energy: -6.410 Base-Backbone interact. energy: 0.672 local terms energy: -23.531856 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.562 flat angles C4'-P-C4' energy: -3.253 flat angles P-C4'-P energy: -4.706 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: 6, replica: 6 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -32.296204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.296204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.296204 (E_RNA) where: Base-Base interactions energy: -6.204 where: short stacking energy: -6.395 Base-Backbone interact. energy: -0.000 local terms energy: -26.091603 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -5.066 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: 7, replica: 5 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -33.776470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.776470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.776470 (E_RNA) where: Base-Base interactions energy: -8.158 where: short stacking energy: -8.158 Base-Backbone interact. energy: -0.033 local terms energy: -25.585425 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -5.709 flat angles C4'-P-C4' energy: -6.095 flat angles P-C4'-P energy: -6.005 tors. eta vs tors. theta energy: -1.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -27.850890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.850890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.850890 (E_RNA) where: Base-Base interactions energy: -3.791 where: short stacking energy: -3.791 Base-Backbone interact. energy: -0.655 local terms energy: -23.405038 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -6.308 flat angles P-C4'-P energy: -5.972 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: 9, replica: 10 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -31.052000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.052000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.052000 (E_RNA) where: Base-Base interactions energy: -9.735 where: short stacking energy: -9.735 Base-Backbone interact. energy: -0.085 local terms energy: -21.232402 where: bonds (distance) C4'-P energy: -4.122 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -6.673 flat angles P-C4'-P energy: -5.353 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: 141 Temperature: 1.350000 Total energy: -29.354673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.354673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.354673 (E_RNA) where: Base-Base interactions energy: -7.809 where: short stacking energy: -7.809 Base-Backbone interact. energy: -0.005 local terms energy: -21.540150 where: bonds (distance) C4'-P energy: -3.828 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.714 flat angles P-C4'-P energy: -4.958 tors. eta vs tors. theta energy: -1.950 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: 2 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -36.400358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.400358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.400358 (E_RNA) where: Base-Base interactions energy: -12.850 where: short stacking energy: -12.850 Base-Backbone interact. energy: -0.002 local terms energy: -23.548576 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -4.279 flat angles P-C4'-P energy: -3.224 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: 3 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -39.887507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.887507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.887507 (E_RNA) where: Base-Base interactions energy: -11.166 where: short stacking energy: -11.166 Base-Backbone interact. energy: -0.001 local terms energy: -28.720828 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -4.809 flat angles P-C4'-P energy: -4.837 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: 8 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -35.941420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.941420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.941420 (E_RNA) where: Base-Base interactions energy: -8.725 where: short stacking energy: -7.066 Base-Backbone interact. energy: -0.012 local terms energy: -27.204547 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -7.335 flat angles P-C4'-P energy: -3.914 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: 4, replica: 1 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -35.657278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.657278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.657278 (E_RNA) where: Base-Base interactions energy: -11.162 where: short stacking energy: -11.162 Base-Backbone interact. energy: 0.323 local terms energy: -24.817611 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -5.462 flat angles P-C4'-P energy: -1.853 tors. eta vs tors. theta energy: -3.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -31.364452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.364452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.364452 (E_RNA) where: Base-Base interactions energy: -7.787 where: short stacking energy: -7.787 Base-Backbone interact. energy: -0.085 local terms energy: -23.492263 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -5.744 flat angles C4'-P-C4' energy: -5.754 flat angles P-C4'-P energy: -2.813 tors. eta vs tors. theta energy: -1.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -36.448009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.448009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.448009 (E_RNA) where: Base-Base interactions energy: -8.087 where: short stacking energy: -8.087 Base-Backbone interact. energy: -0.001 local terms energy: -28.360089 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.237 flat angles P-C4'-P energy: -5.200 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: 7 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -29.464638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.464638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.464638 (E_RNA) where: Base-Base interactions energy: -5.016 where: short stacking energy: -5.016 Base-Backbone interact. energy: -0.107 local terms energy: -24.341903 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.141 flat angles P-C4'-P energy: -4.438 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: 8, replica: 5 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -28.594380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.594380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.594380 (E_RNA) where: Base-Base interactions energy: -7.657 where: short stacking energy: -7.657 Base-Backbone interact. energy: -0.910 local terms energy: -20.027369 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -4.414 flat angles P-C4'-P energy: -3.926 tors. eta vs tors. theta energy: 0.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -26.947005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.947005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.947005 (E_RNA) where: Base-Base interactions energy: -7.429 where: short stacking energy: -7.429 Base-Backbone interact. energy: -0.073 local terms energy: -19.444864 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -5.255 flat angles C4'-P-C4' energy: -3.953 flat angles P-C4'-P energy: -4.043 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: 10, replica: 10 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -27.218350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.218350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.218350 (E_RNA) where: Base-Base interactions energy: -4.206 where: short stacking energy: -4.206 Base-Backbone interact. energy: -0.053 local terms energy: -22.959045 where: bonds (distance) C4'-P energy: -6.213 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -6.649 flat angles P-C4'-P energy: -5.710 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: 143 Temperature: 0.900000 Total energy: -42.753970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.753970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.753970 (E_RNA) where: Base-Base interactions energy: -15.317 where: short stacking energy: -15.317 Base-Backbone interact. energy: -0.000 local terms energy: -27.437457 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.253 flat angles P-C4'-P energy: -4.373 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: 2, replica: 8 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -36.518042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.518042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.518042 (E_RNA) where: Base-Base interactions energy: -11.732 where: short stacking energy: -11.732 Base-Backbone interact. energy: -0.032 local terms energy: -24.754645 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -6.794 flat angles P-C4'-P energy: -3.862 tors. eta vs tors. theta energy: -0.225 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: 3, replica: 3 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -34.790888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.790888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.790888 (E_RNA) where: Base-Base interactions energy: -8.386 where: short stacking energy: -8.386 Base-Backbone interact. energy: -0.000 local terms energy: -26.404352 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -7.203 flat angles P-C4'-P energy: -4.689 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: 4, replica: 6 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -32.874585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.874585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.874585 (E_RNA) where: Base-Base interactions energy: -8.736 where: short stacking energy: -8.736 Base-Backbone interact. energy: 0.070 local terms energy: -24.208188 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -5.846 flat angles P-C4'-P energy: -4.604 tors. eta vs tors. theta energy: -1.073 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: 1 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -33.890070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.890070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.890070 (E_RNA) where: Base-Base interactions energy: -11.336 where: short stacking energy: -9.083 Base-Backbone interact. energy: -0.838 local terms energy: -21.715786 where: bonds (distance) C4'-P energy: -3.393 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -4.620 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: 6, replica: 7 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -30.769374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.769374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.769374 (E_RNA) where: Base-Base interactions energy: -6.351 where: short stacking energy: -6.059 Base-Backbone interact. energy: -0.267 local terms energy: -24.151200 where: bonds (distance) C4'-P energy: -4.618 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -6.086 flat angles P-C4'-P energy: -5.630 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: 7, replica: 4 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -33.561151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.561151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.561151 (E_RNA) where: Base-Base interactions energy: -9.516 where: short stacking energy: -9.516 Base-Backbone interact. energy: -0.024 local terms energy: -24.020223 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -4.603 flat angles P-C4'-P energy: -4.279 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: 8, replica: 9 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -32.349532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.349532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.349532 (E_RNA) where: Base-Base interactions energy: -10.665 where: short stacking energy: -10.765 Base-Backbone interact. energy: -0.003 local terms energy: -21.680734 where: bonds (distance) C4'-P energy: -3.567 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -5.404 flat angles P-C4'-P energy: -5.001 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: 5 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -28.495162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.495162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.495162 (E_RNA) where: Base-Base interactions energy: -4.132 where: short stacking energy: -4.132 Base-Backbone interact. energy: -0.103 local terms energy: -24.259852 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.241 flat angles C4'-P-C4' energy: -7.121 flat angles P-C4'-P energy: -4.165 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: 10, replica: 10 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -32.776658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.776658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.776658 (E_RNA) where: Base-Base interactions energy: -8.200 where: short stacking energy: -8.200 Base-Backbone interact. energy: -0.095 local terms energy: -24.481777 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -5.452 flat angles C4'-P-C4' energy: -7.265 flat angles P-C4'-P energy: -5.658 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: 1, replica: 8 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -36.463543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.463543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.463543 (E_RNA) where: Base-Base interactions energy: -9.300 where: short stacking energy: -9.300 Base-Backbone interact. energy: -0.046 local terms energy: -27.117170 where: bonds (distance) C4'-P energy: -5.098 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.781 flat angles P-C4'-P energy: -4.598 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: 2, replica: 2 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -34.969124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.969124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.969124 (E_RNA) where: Base-Base interactions energy: -5.992 where: short stacking energy: -5.992 Base-Backbone interact. energy: -0.068 local terms energy: -28.909016 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -5.880 flat angles P-C4'-P energy: -4.807 tors. eta vs tors. theta energy: -4.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -36.844562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.844562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.844562 (E_RNA) where: Base-Base interactions energy: -9.195 where: short stacking energy: -9.195 Base-Backbone interact. energy: -0.072 local terms energy: -27.578081 where: bonds (distance) C4'-P energy: -5.980 bonds (distance) P-C4' energy: -5.424 flat angles C4'-P-C4' energy: -6.134 flat angles P-C4'-P energy: -5.604 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: 4, replica: 3 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -33.332884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.332884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.332884 (E_RNA) where: Base-Base interactions energy: -7.589 where: short stacking energy: -6.281 Base-Backbone interact. energy: -0.000 local terms energy: -25.743604 where: bonds (distance) C4'-P energy: -6.531 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -4.953 flat angles P-C4'-P energy: -1.575 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: 5, replica: 1 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -33.812020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.812020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.812020 (E_RNA) where: Base-Base interactions energy: -6.278 where: short stacking energy: -6.278 Base-Backbone interact. energy: -0.018 local terms energy: -27.515603 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.391 flat angles P-C4'-P energy: -5.224 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: 6, replica: 7 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -28.839768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.839768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.839768 (E_RNA) where: Base-Base interactions energy: -4.766 where: short stacking energy: -4.766 Base-Backbone interact. energy: 0.257 local terms energy: -24.331220 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.565 flat angles P-C4'-P energy: -5.213 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: 7, replica: 9 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -28.812851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.812851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.812851 (E_RNA) where: Base-Base interactions energy: -6.507 where: short stacking energy: -6.507 Base-Backbone interact. energy: -0.106 local terms energy: -22.200068 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -7.054 flat angles P-C4'-P energy: -3.485 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: 8, replica: 4 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -28.536985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.536985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.536985 (E_RNA) where: Base-Base interactions energy: -6.687 where: short stacking energy: -7.494 Base-Backbone interact. energy: 0.518 local terms energy: -22.367403 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.439 flat angles P-C4'-P energy: -1.856 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: 9, replica: 10 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -30.089161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.089161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.089161 (E_RNA) where: Base-Base interactions energy: -8.004 where: short stacking energy: -8.004 Base-Backbone interact. energy: -0.001 local terms energy: -22.083820 where: bonds (distance) C4'-P energy: -5.363 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -5.583 flat angles P-C4'-P energy: -3.788 tors. eta vs tors. theta energy: -0.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -32.348856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.348856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.348856 (E_RNA) where: Base-Base interactions energy: -6.222 where: short stacking energy: -6.222 Base-Backbone interact. energy: -0.000 local terms energy: -26.127029 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -5.099 flat angles P-C4'-P energy: -4.733 tors. eta vs tors. theta energy: -3.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -38.639437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.639437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.639437 (E_RNA) where: Base-Base interactions energy: -12.332 where: short stacking energy: -12.332 Base-Backbone interact. energy: -0.021 local terms energy: -26.285774 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.245 flat angles P-C4'-P energy: -5.237 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: 6 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -43.841514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.841514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.841514 (E_RNA) where: Base-Base interactions energy: -12.256 where: short stacking energy: -12.256 Base-Backbone interact. energy: -0.000 local terms energy: -31.585390 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.725 flat angles P-C4'-P energy: -4.261 tors. eta vs tors. theta energy: -5.928 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: 3, replica: 2 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -37.484786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.484786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.484786 (E_RNA) where: Base-Base interactions energy: -13.306 where: short stacking energy: -13.306 Base-Backbone interact. energy: -0.028 local terms energy: -24.150274 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -5.194 flat angles C4'-P-C4' energy: -5.786 flat angles P-C4'-P energy: -5.270 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: 4, replica: 1 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -37.284206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.284206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.284206 (E_RNA) where: Base-Base interactions energy: -10.256 where: short stacking energy: -10.256 Base-Backbone interact. energy: -0.018 local terms energy: -27.010218 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -6.095 flat angles P-C4'-P energy: -5.654 tors. eta vs tors. theta energy: -1.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -31.428676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.428676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.428676 (E_RNA) where: Base-Base interactions energy: -7.057 where: short stacking energy: -7.057 Base-Backbone interact. energy: -0.030 local terms energy: -24.342331 where: bonds (distance) C4'-P energy: -2.867 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.348 flat angles P-C4'-P energy: -5.801 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: 6, replica: 9 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -31.426153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.426153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.426153 (E_RNA) where: Base-Base interactions energy: -5.414 where: short stacking energy: -5.414 Base-Backbone interact. energy: -0.097 local terms energy: -25.914629 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.259 flat angles P-C4'-P energy: -2.824 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: 7, replica: 7 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -35.623340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.623340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.623340 (E_RNA) where: Base-Base interactions energy: -9.250 where: short stacking energy: -9.250 Base-Backbone interact. energy: -0.001 local terms energy: -26.372979 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -6.635 flat angles P-C4'-P energy: -5.831 tors. eta vs tors. theta energy: -0.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -29.803203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.803203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.803203 (E_RNA) where: Base-Base interactions energy: -7.347 where: short stacking energy: -7.347 Base-Backbone interact. energy: -0.005 local terms energy: -22.451071 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -4.454 flat angles P-C4'-P energy: -5.500 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: 9, replica: 4 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -28.737662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.737662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.737662 (E_RNA) where: Base-Base interactions energy: -6.553 where: short stacking energy: -6.553 Base-Backbone interact. energy: -0.038 local terms energy: -22.146583 where: bonds (distance) C4'-P energy: -4.180 bonds (distance) P-C4' energy: -6.051 flat angles C4'-P-C4' energy: -7.025 flat angles P-C4'-P energy: -4.367 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: 10, replica: 5 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -24.608227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.608227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.608227 (E_RNA) where: Base-Base interactions energy: -5.259 where: short stacking energy: -4.273 Base-Backbone interact. energy: -0.084 local terms energy: -19.265120 where: bonds (distance) C4'-P energy: -0.793 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -3.662 flat angles P-C4'-P energy: -4.238 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: 1, replica: 6 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -43.234560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.234560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.234560 (E_RNA) where: Base-Base interactions energy: -14.889 where: short stacking energy: -14.889 Base-Backbone interact. energy: -0.000 local terms energy: -28.345402 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.572 flat angles P-C4'-P energy: -4.344 tors. eta vs tors. theta energy: -4.179 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: 2, replica: 8 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -40.398519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.398519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.398519 (E_RNA) where: Base-Base interactions energy: -14.070 where: short stacking energy: -14.070 Base-Backbone interact. energy: -0.001 local terms energy: -26.327741 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -6.589 flat angles P-C4'-P energy: -4.559 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: 3, replica: 1 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -34.808079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.808079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.808079 (E_RNA) where: Base-Base interactions energy: -7.318 where: short stacking energy: -7.318 Base-Backbone interact. energy: -0.059 local terms energy: -27.430454 where: bonds (distance) C4'-P energy: -7.425 bonds (distance) P-C4' energy: -6.544 flat angles C4'-P-C4' energy: -7.463 flat angles P-C4'-P energy: -4.223 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: 4, replica: 2 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -32.363661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.363661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.363661 (E_RNA) where: Base-Base interactions energy: -8.657 where: short stacking energy: -8.657 Base-Backbone interact. energy: -0.030 local terms energy: -23.676572 where: bonds (distance) C4'-P energy: -3.355 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.247 flat angles P-C4'-P energy: -5.925 tors. eta vs tors. theta energy: -0.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -35.212312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.212312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.212312 (E_RNA) where: Base-Base interactions energy: -12.229 where: short stacking energy: -12.229 Base-Backbone interact. energy: -0.002 local terms energy: -22.980978 where: bonds (distance) C4'-P energy: -5.098 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -4.302 flat angles P-C4'-P energy: -4.816 tors. eta vs tors. theta energy: -2.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -33.313934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.313934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.313934 (E_RNA) where: Base-Base interactions energy: -8.103 where: short stacking energy: -8.103 Base-Backbone interact. energy: -0.004 local terms energy: -25.206210 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -3.961 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -5.078 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: 7, replica: 10 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -36.114449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.114449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.114449 (E_RNA) where: Base-Base interactions energy: -11.555 where: short stacking energy: -11.555 Base-Backbone interact. energy: -0.005 local terms energy: -24.554738 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -4.872 flat angles P-C4'-P energy: -5.301 tors. eta vs tors. theta energy: -1.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -29.642933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.642933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.642933 (E_RNA) where: Base-Base interactions energy: -5.461 where: short stacking energy: -5.461 Base-Backbone interact. energy: -0.141 local terms energy: -24.041086 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -5.056 flat angles C4'-P-C4' energy: -5.927 flat angles P-C4'-P energy: -5.349 tors. eta vs tors. theta energy: -1.476 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: 5 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -31.543189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.543189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.543189 (E_RNA) where: Base-Base interactions energy: -8.142 where: short stacking energy: -8.142 Base-Backbone interact. energy: -0.325 local terms energy: -23.076594 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.803 flat angles P-C4'-P energy: -3.717 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: 10, replica: 4 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -28.270672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.270672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.270672 (E_RNA) where: Base-Base interactions energy: -6.245 where: short stacking energy: -6.245 Base-Backbone interact. energy: -0.069 local terms energy: -21.956527 where: bonds (distance) C4'-P energy: -4.361 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -5.107 flat angles P-C4'-P energy: -4.396 tors. eta vs tors. theta energy: -2.067 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: 6 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -34.523211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.523211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.523211 (E_RNA) where: Base-Base interactions energy: -9.748 where: short stacking energy: -9.748 Base-Backbone interact. energy: -0.003 local terms energy: -24.771553 where: bonds (distance) C4'-P energy: -4.705 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -7.022 flat angles P-C4'-P energy: -5.977 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: 2, replica: 1 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -39.004756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.004756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.004756 (E_RNA) where: Base-Base interactions energy: -12.421 where: short stacking energy: -12.421 Base-Backbone interact. energy: -0.000 local terms energy: -26.583755 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -5.799 flat angles P-C4'-P energy: -4.920 tors. eta vs tors. theta energy: -2.730 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: 3, replica: 8 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -38.691534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.691534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.691534 (E_RNA) where: Base-Base interactions energy: -10.936 where: short stacking energy: -10.982 Base-Backbone interact. energy: -0.035 local terms energy: -27.720842 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -5.737 flat angles C4'-P-C4' energy: -5.212 flat angles P-C4'-P energy: -5.292 tors. eta vs tors. theta energy: -4.510 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: 9 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -34.565868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.565868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.565868 (E_RNA) where: Base-Base interactions energy: -9.221 where: short stacking energy: -9.221 Base-Backbone interact. energy: -0.009 local terms energy: -25.335608 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.783 flat angles C4'-P-C4' energy: -5.691 flat angles P-C4'-P energy: -5.435 tors. eta vs tors. theta energy: -0.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -34.223932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.223932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.223932 (E_RNA) where: Base-Base interactions energy: -9.630 where: short stacking energy: -9.630 Base-Backbone interact. energy: -0.000 local terms energy: -24.593418 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.088 flat angles P-C4'-P energy: -4.467 tors. eta vs tors. theta energy: -1.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -39.146722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.146722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.146722 (E_RNA) where: Base-Base interactions energy: -11.723 where: short stacking energy: -11.723 Base-Backbone interact. energy: -0.000 local terms energy: -27.423119 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -3.479 tors. eta vs tors. theta energy: -4.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -31.364472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.364472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.364472 (E_RNA) where: Base-Base interactions energy: -8.464 where: short stacking energy: -8.464 Base-Backbone interact. energy: -0.165 local terms energy: -22.735751 where: bonds (distance) C4'-P energy: -5.024 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -6.023 flat angles P-C4'-P energy: -4.512 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: 5 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -31.141617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.141617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.141617 (E_RNA) where: Base-Base interactions energy: -8.851 where: short stacking energy: -8.851 Base-Backbone interact. energy: -0.055 local terms energy: -22.235507 where: bonds (distance) C4'-P energy: -5.965 bonds (distance) P-C4' energy: -5.385 flat angles C4'-P-C4' energy: -5.867 flat angles P-C4'-P energy: -3.879 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: 9, replica: 7 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -28.803186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.803186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.803186 (E_RNA) where: Base-Base interactions energy: -7.079 where: short stacking energy: -7.079 Base-Backbone interact. energy: -0.107 local terms energy: -21.617398 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -4.797 flat angles C4'-P-C4' energy: -4.945 flat angles P-C4'-P energy: -5.139 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: 4 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -28.593360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.593360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.593360 (E_RNA) where: Base-Base interactions energy: -4.207 where: short stacking energy: -4.207 Base-Backbone interact. energy: -0.041 local terms energy: -24.345318 where: bonds (distance) C4'-P energy: -6.953 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -6.062 flat angles P-C4'-P energy: -4.294 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: 1, replica: 1 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -37.139913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.139913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.139913 (E_RNA) where: Base-Base interactions energy: -8.710 where: short stacking energy: -8.710 Base-Backbone interact. energy: -0.000 local terms energy: -28.429958 where: bonds (distance) C4'-P energy: -5.503 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -7.312 flat angles P-C4'-P energy: -3.203 tors. eta vs tors. theta energy: -4.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -32.812931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.812931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.812931 (E_RNA) where: Base-Base interactions energy: -6.261 where: short stacking energy: -6.261 Base-Backbone interact. energy: -0.131 local terms energy: -26.420809 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -7.186 flat angles P-C4'-P energy: -5.430 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: 3, replica: 9 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -37.099521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.099521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.099521 (E_RNA) where: Base-Base interactions energy: -11.075 where: short stacking energy: -11.075 Base-Backbone interact. energy: -0.000 local terms energy: -26.024944 where: bonds (distance) C4'-P energy: -5.247 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -6.322 flat angles P-C4'-P energy: -3.962 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: 4, replica: 8 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -34.456968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.456968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.456968 (E_RNA) where: Base-Base interactions energy: -8.843 where: short stacking energy: -8.843 Base-Backbone interact. energy: -0.000 local terms energy: -25.613776 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -7.268 flat angles P-C4'-P energy: -3.752 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: 5, replica: 10 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -34.665371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.665371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.665371 (E_RNA) where: Base-Base interactions energy: -11.523 where: short stacking energy: -11.734 Base-Backbone interact. energy: -0.000 local terms energy: -23.142124 where: bonds (distance) C4'-P energy: -4.800 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -5.211 flat angles P-C4'-P energy: -4.241 tors. eta vs tors. theta energy: -2.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -36.228375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.228375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.228375 (E_RNA) where: Base-Base interactions energy: -7.046 where: short stacking energy: -7.046 Base-Backbone interact. energy: -0.000 local terms energy: -29.182110 where: bonds (distance) C4'-P energy: -4.275 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -5.148 flat angles P-C4'-P energy: -6.402 tors. eta vs tors. theta energy: -5.809 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: 5 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -34.158626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.158626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.158626 (E_RNA) where: Base-Base interactions energy: -10.326 where: short stacking energy: -6.577 Base-Backbone interact. energy: -0.008 local terms energy: -23.824127 where: bonds (distance) C4'-P energy: -2.909 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -7.087 flat angles P-C4'-P energy: -2.188 tors. eta vs tors. theta energy: -5.026 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: 3 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -28.863424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.863424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.863424 (E_RNA) where: Base-Base interactions energy: -8.117 where: short stacking energy: -8.117 Base-Backbone interact. energy: -0.097 local terms energy: -20.650104 where: bonds (distance) C4'-P energy: -4.850 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.682 flat angles P-C4'-P energy: -4.146 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: 9, replica: 4 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -29.049057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.049057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.049057 (E_RNA) where: Base-Base interactions energy: -8.271 where: short stacking energy: -8.271 Base-Backbone interact. energy: -0.003 local terms energy: -20.775498 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -4.011 flat angles C4'-P-C4' energy: -4.920 flat angles P-C4'-P energy: -4.346 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: 10, replica: 7 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -29.350841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.350841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.350841 (E_RNA) where: Base-Base interactions energy: -7.073 where: short stacking energy: -7.073 Base-Backbone interact. energy: -0.000 local terms energy: -22.277731 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -3.294 flat angles P-C4'-P energy: -3.343 tors. eta vs tors. theta energy: -2.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -40.079290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.079290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.079290 (E_RNA) where: Base-Base interactions energy: -10.469 where: short stacking energy: -10.469 Base-Backbone interact. energy: -0.049 local terms energy: -29.561316 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.911 flat angles P-C4'-P energy: -4.917 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: 2, replica: 9 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -39.725331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.725331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.725331 (E_RNA) where: Base-Base interactions energy: -12.303 where: short stacking energy: -12.303 Base-Backbone interact. energy: 0.023 local terms energy: -27.445692 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.326 flat angles C4'-P-C4' energy: -4.923 flat angles P-C4'-P energy: -5.511 tors. eta vs tors. theta energy: -4.481 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: 3, replica: 6 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -38.888106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.888106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.888106 (E_RNA) where: Base-Base interactions energy: -10.629 where: short stacking energy: -10.629 Base-Backbone interact. energy: -0.016 local terms energy: -28.243464 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.703 flat angles P-C4'-P energy: -5.787 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: 4, replica: 10 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -38.024383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.024383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.024383 (E_RNA) where: Base-Base interactions energy: -9.683 where: short stacking energy: -9.683 Base-Backbone interact. energy: -0.001 local terms energy: -28.340879 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -7.149 flat angles P-C4'-P energy: -3.593 tors. eta vs tors. theta energy: -5.511 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: 8 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -35.319149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.319149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.319149 (E_RNA) where: Base-Base interactions energy: -10.788 where: short stacking energy: -9.796 Base-Backbone interact. energy: -0.001 local terms energy: -24.529905 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.896 flat angles P-C4'-P energy: -1.989 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: 6, replica: 5 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -40.848826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.848826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.848826 (E_RNA) where: Base-Base interactions energy: -13.901 where: short stacking energy: -12.250 Base-Backbone interact. energy: -0.091 local terms energy: -26.855942 where: bonds (distance) C4'-P energy: -6.688 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -7.009 flat angles P-C4'-P energy: -5.253 tors. eta vs tors. theta energy: -0.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -29.962503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.962503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.962503 (E_RNA) where: Base-Base interactions energy: -6.674 where: short stacking energy: -6.674 Base-Backbone interact. energy: -0.064 local terms energy: -23.224947 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -5.402 flat angles P-C4'-P energy: -4.025 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: 8, replica: 4 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -32.646083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.646083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.646083 (E_RNA) where: Base-Base interactions energy: -7.622 where: short stacking energy: -7.622 Base-Backbone interact. energy: -0.000 local terms energy: -25.023802 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -4.743 flat angles P-C4'-P energy: -5.859 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: 9, replica: 3 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -30.713175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.713175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.713175 (E_RNA) where: Base-Base interactions energy: -7.874 where: short stacking energy: -8.031 Base-Backbone interact. energy: -0.341 local terms energy: -22.498322 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -4.602 flat angles P-C4'-P energy: -5.278 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: 10, replica: 7 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -33.102532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.102532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.102532 (E_RNA) where: Base-Base interactions energy: -7.556 where: short stacking energy: -7.556 Base-Backbone interact. energy: -0.002 local terms energy: -25.543771 where: bonds (distance) C4'-P energy: -5.143 bonds (distance) P-C4' energy: -4.774 flat angles C4'-P-C4' energy: -5.742 flat angles P-C4'-P energy: -4.981 tors. eta vs tors. theta energy: -4.903 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: 9 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -43.291613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.291613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.291613 (E_RNA) where: Base-Base interactions energy: -16.131 where: short stacking energy: -15.740 Base-Backbone interact. energy: -0.001 local terms energy: -27.159784 where: bonds (distance) C4'-P energy: -5.015 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.378 flat angles P-C4'-P energy: -5.966 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: 2, replica: 1 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -37.085381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.085381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.085381 (E_RNA) where: Base-Base interactions energy: -10.855 where: short stacking energy: -10.855 Base-Backbone interact. energy: -0.044 local terms energy: -26.186122 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -6.273 flat angles P-C4'-P energy: -5.112 tors. eta vs tors. theta energy: -1.722 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: 10 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -34.866157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.866157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.866157 (E_RNA) where: Base-Base interactions energy: -9.983 where: short stacking energy: -9.100 Base-Backbone interact. energy: -0.015 local terms energy: -24.868208 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -5.293 flat angles C4'-P-C4' energy: -5.981 flat angles P-C4'-P energy: -5.379 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: 4, replica: 6 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -37.887080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.887080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.887080 (E_RNA) where: Base-Base interactions energy: -10.836 where: short stacking energy: -10.836 Base-Backbone interact. energy: -0.002 local terms energy: -27.048700 where: bonds (distance) C4'-P energy: -5.620 bonds (distance) P-C4' energy: -6.454 flat angles C4'-P-C4' energy: -6.577 flat angles P-C4'-P energy: -5.955 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: 150 Temperature: 1.100000 Total energy: -37.543567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.543567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.543567 (E_RNA) where: Base-Base interactions energy: -9.419 where: short stacking energy: -9.419 Base-Backbone interact. energy: -0.000 local terms energy: -28.125045 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -6.747 flat angles P-C4'-P energy: -3.250 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: 6, replica: 8 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -34.210057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.210057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.210057 (E_RNA) where: Base-Base interactions energy: -9.736 where: short stacking energy: -9.736 Base-Backbone interact. energy: -0.036 local terms energy: -24.437601 where: bonds (distance) C4'-P energy: -6.696 bonds (distance) P-C4' energy: -6.790 flat angles C4'-P-C4' energy: -5.173 flat angles P-C4'-P energy: -2.155 tors. eta vs tors. theta energy: -3.624 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: 4 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -32.373482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.373482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.373482 (E_RNA) where: Base-Base interactions energy: -6.672 where: short stacking energy: -6.672 Base-Backbone interact. energy: -0.001 local terms energy: -25.700247 where: bonds (distance) C4'-P energy: -5.131 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.341 flat angles P-C4'-P energy: -4.262 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: 8, replica: 2 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -32.124720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.124720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.124720 (E_RNA) where: Base-Base interactions energy: -7.601 where: short stacking energy: -7.601 Base-Backbone interact. energy: -0.000 local terms energy: -24.523598 where: bonds (distance) C4'-P energy: -5.488 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -6.788 flat angles P-C4'-P energy: -4.627 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: 9, replica: 7 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -28.613218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.613218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.613218 (E_RNA) where: Base-Base interactions energy: -8.022 where: short stacking energy: -8.022 Base-Backbone interact. energy: -0.154 local terms energy: -20.437263 where: bonds (distance) C4'-P energy: -5.173 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.710 flat angles P-C4'-P energy: -2.859 tors. eta vs tors. theta energy: -0.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -28.170471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.170471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.170471 (E_RNA) where: Base-Base interactions energy: -1.750 where: short stacking energy: -1.750 Base-Backbone interact. energy: -0.000 local terms energy: -26.420774 where: bonds (distance) C4'-P energy: -5.240 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.706 flat angles P-C4'-P energy: -4.962 tors. eta vs tors. theta energy: -2.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -46.219533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.219533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.219533 (E_RNA) where: Base-Base interactions energy: -16.119 where: short stacking energy: -16.119 Base-Backbone interact. energy: -0.003 local terms energy: -30.097532 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -6.848 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: -4.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -34.790536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.790536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.790536 (E_RNA) where: Base-Base interactions energy: -9.737 where: short stacking energy: -9.737 Base-Backbone interact. energy: -0.097 local terms energy: -24.956996 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.161 flat angles P-C4'-P energy: -5.486 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: 1 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -38.645514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.645514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.645514 (E_RNA) where: Base-Base interactions energy: -11.580 where: short stacking energy: -11.580 Base-Backbone interact. energy: -0.008 local terms energy: -27.057311 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -7.186 flat angles P-C4'-P energy: -2.883 tors. eta vs tors. theta energy: -4.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -31.780046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.780046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.780046 (E_RNA) where: Base-Base interactions energy: -6.730 where: short stacking energy: -6.730 Base-Backbone interact. energy: -0.095 local terms energy: -24.954993 where: bonds (distance) C4'-P energy: -3.720 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -6.145 flat angles P-C4'-P energy: -4.686 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: 5, replica: 6 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -37.894573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.894573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.894573 (E_RNA) where: Base-Base interactions energy: -10.354 where: short stacking energy: -10.354 Base-Backbone interact. energy: -0.002 local terms energy: -27.539293 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -4.843 flat angles P-C4'-P energy: -5.662 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: 6, replica: 4 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -32.897379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.897379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.897379 (E_RNA) where: Base-Base interactions energy: -9.591 where: short stacking energy: -9.591 Base-Backbone interact. energy: -0.095 local terms energy: -23.211550 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.819 flat angles P-C4'-P energy: -3.797 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: 7, replica: 8 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -33.856386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.856386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.856386 (E_RNA) where: Base-Base interactions energy: -9.706 where: short stacking energy: -9.706 Base-Backbone interact. energy: -0.000 local terms energy: -24.150134 where: bonds (distance) C4'-P energy: -4.519 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -4.003 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: 8, replica: 7 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -34.784748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.784748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.784748 (E_RNA) where: Base-Base interactions energy: -10.030 where: short stacking energy: -10.030 Base-Backbone interact. energy: -0.000 local terms energy: -24.754566 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -4.039 flat angles C4'-P-C4' energy: -5.196 flat angles P-C4'-P energy: -2.929 tors. eta vs tors. theta energy: -5.282 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: 2 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -35.530530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.530530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.530530 (E_RNA) where: Base-Base interactions energy: -6.795 where: short stacking energy: -6.795 Base-Backbone interact. energy: -0.000 local terms energy: -28.735144 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -7.276 flat angles P-C4'-P energy: -6.070 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: 10, replica: 3 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -29.364698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.364698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.364698 (E_RNA) where: Base-Base interactions energy: -10.035 where: short stacking energy: -10.035 Base-Backbone interact. energy: -0.001 local terms energy: -19.329054 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -3.814 flat angles C4'-P-C4' energy: -3.621 flat angles P-C4'-P energy: -3.797 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: 1, replica: 10 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -41.273791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.273791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.273791 (E_RNA) where: Base-Base interactions energy: -13.598 where: short stacking energy: -13.598 Base-Backbone interact. energy: -0.030 local terms energy: -27.645630 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -3.885 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: 9 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -44.386674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.386674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.386674 (E_RNA) where: Base-Base interactions energy: -14.848 where: short stacking energy: -14.848 Base-Backbone interact. energy: -0.000 local terms energy: -29.538649 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -6.309 flat angles P-C4'-P energy: -6.465 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: 3, replica: 5 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -37.163210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.163210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.163210 (E_RNA) where: Base-Base interactions energy: -9.773 where: short stacking energy: -9.773 Base-Backbone interact. energy: -0.000 local terms energy: -27.390292 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -6.086 flat angles P-C4'-P energy: -2.436 tors. eta vs tors. theta energy: -5.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -40.775425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.775425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.775425 (E_RNA) where: Base-Base interactions energy: -15.131 where: short stacking energy: -15.131 Base-Backbone interact. energy: -0.061 local terms energy: -25.583201 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -4.570 flat angles P-C4'-P energy: -2.834 tors. eta vs tors. theta energy: -4.817 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: 4 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -40.047257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.047257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.047257 (E_RNA) where: Base-Base interactions energy: -14.426 where: short stacking energy: -14.426 Base-Backbone interact. energy: -0.000 local terms energy: -25.621411 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -5.709 flat angles C4'-P-C4' energy: -5.259 flat angles P-C4'-P energy: -4.430 tors. eta vs tors. theta energy: -4.384 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: 6, replica: 6 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -33.576855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.576855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.576855 (E_RNA) where: Base-Base interactions energy: -8.229 where: short stacking energy: -9.829 Base-Backbone interact. energy: -0.001 local terms energy: -25.347219 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.830 flat angles P-C4'-P energy: -0.899 tors. eta vs tors. theta energy: -4.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -29.182087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.182087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.182087 (E_RNA) where: Base-Base interactions energy: -3.956 where: short stacking energy: -3.642 Base-Backbone interact. energy: -0.027 local terms energy: -25.198941 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -7.041 flat angles P-C4'-P energy: -4.407 tors. eta vs tors. theta energy: 0.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -35.231396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.231396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.231396 (E_RNA) where: Base-Base interactions energy: -7.336 where: short stacking energy: -7.336 Base-Backbone interact. energy: 0.379 local terms energy: -28.274745 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.422 flat angles P-C4'-P energy: -4.709 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: 3 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -30.051987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.051987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.051987 (E_RNA) where: Base-Base interactions energy: -5.348 where: short stacking energy: -5.348 Base-Backbone interact. energy: -0.000 local terms energy: -24.703813 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -4.236 flat angles P-C4'-P energy: -4.825 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: 10, replica: 2 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -30.567753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.567753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.567753 (E_RNA) where: Base-Base interactions energy: -7.196 where: short stacking energy: -7.196 Base-Backbone interact. energy: -0.061 local terms energy: -23.311131 where: bonds (distance) C4'-P energy: -5.309 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -6.956 flat angles P-C4'-P energy: -5.216 tors. eta vs tors. theta energy: -0.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -39.885271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.885271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.885271 (E_RNA) where: Base-Base interactions energy: -12.634 where: short stacking energy: -12.634 Base-Backbone interact. energy: -0.002 local terms energy: -27.249344 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -3.978 flat angles P-C4'-P energy: -5.863 tors. eta vs tors. theta energy: -2.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -40.539961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.539961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.539961 (E_RNA) where: Base-Base interactions energy: -10.908 where: short stacking energy: -10.908 Base-Backbone interact. energy: -0.000 local terms energy: -29.631669 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.029 flat angles P-C4'-P energy: -4.528 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: 153 Temperature: 1.000000 Total energy: -36.135373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.135373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.135373 (E_RNA) where: Base-Base interactions energy: -10.202 where: short stacking energy: -10.202 Base-Backbone interact. energy: -0.000 local terms energy: -25.933041 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -5.356 flat angles P-C4'-P energy: -4.611 tors. eta vs tors. theta energy: -2.415 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: 4 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -37.816592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.816592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.816592 (E_RNA) where: Base-Base interactions energy: -10.868 where: short stacking energy: -10.868 Base-Backbone interact. energy: -0.159 local terms energy: -26.789582 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.823 flat angles C4'-P-C4' energy: -6.866 flat angles P-C4'-P energy: -4.752 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: 5, replica: 1 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -36.468411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.468411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.468411 (E_RNA) where: Base-Base interactions energy: -10.895 where: short stacking energy: -10.895 Base-Backbone interact. energy: -0.002 local terms energy: -25.571444 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -3.494 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: 6, replica: 7 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -32.106458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.106458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.106458 (E_RNA) where: Base-Base interactions energy: -8.856 where: short stacking energy: -8.856 Base-Backbone interact. energy: -0.126 local terms energy: -23.124495 where: bonds (distance) C4'-P energy: -5.255 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.951 flat angles P-C4'-P energy: -5.685 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: 6 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -29.965932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.965932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.965932 (E_RNA) where: Base-Base interactions energy: -6.612 where: short stacking energy: -5.263 Base-Backbone interact. energy: -0.173 local terms energy: -23.180404 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -4.611 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: 8, replica: 8 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -38.141907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.141907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.141907 (E_RNA) where: Base-Base interactions energy: -7.929 where: short stacking energy: -7.929 Base-Backbone interact. energy: -0.026 local terms energy: -30.187103 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -7.113 flat angles P-C4'-P energy: -4.174 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: 9, replica: 3 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -28.804917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.804917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.804917 (E_RNA) where: Base-Base interactions energy: -7.252 where: short stacking energy: -4.533 Base-Backbone interact. energy: -0.168 local terms energy: -21.384001 where: bonds (distance) C4'-P energy: -5.803 bonds (distance) P-C4' energy: -4.072 flat angles C4'-P-C4' energy: -6.589 flat angles P-C4'-P energy: -4.212 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: 10, replica: 2 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -34.414957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.414957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.414957 (E_RNA) where: Base-Base interactions energy: -8.487 where: short stacking energy: -8.487 Base-Backbone interact. energy: -0.001 local terms energy: -25.927769 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -6.976 flat angles P-C4'-P energy: -4.594 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: 1, replica: 9 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -41.677821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.677821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.677821 (E_RNA) where: Base-Base interactions energy: -15.810 where: short stacking energy: -15.810 Base-Backbone interact. energy: -0.000 local terms energy: -25.867304 where: bonds (distance) C4'-P energy: -4.429 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.942 flat angles P-C4'-P energy: -3.060 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: 10 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -41.409399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.409399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.409399 (E_RNA) where: Base-Base interactions energy: -12.519 where: short stacking energy: -12.519 Base-Backbone interact. energy: -0.058 local terms energy: -28.832532 where: bonds (distance) C4'-P energy: -5.599 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -6.967 flat angles P-C4'-P energy: -4.212 tors. eta vs tors. theta energy: -4.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -34.602474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.602474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.602474 (E_RNA) where: Base-Base interactions energy: -9.892 where: short stacking energy: -9.892 Base-Backbone interact. energy: -0.003 local terms energy: -24.707505 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.029 flat angles C4'-P-C4' energy: -7.229 flat angles P-C4'-P energy: -5.849 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: 4, replica: 5 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -36.436340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.436340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.436340 (E_RNA) where: Base-Base interactions energy: -11.302 where: short stacking energy: -11.302 Base-Backbone interact. energy: -0.290 local terms energy: -24.844161 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -4.842 flat angles C4'-P-C4' energy: -6.694 flat angles P-C4'-P energy: -4.034 tors. eta vs tors. theta energy: -3.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -29.207203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.207203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.207203 (E_RNA) where: Base-Base interactions energy: -6.844 where: short stacking energy: -6.844 Base-Backbone interact. energy: -0.000 local terms energy: -22.363021 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -3.639 flat angles P-C4'-P energy: -2.728 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: 6, replica: 1 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -37.553687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.553687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.553687 (E_RNA) where: Base-Base interactions energy: -11.479 where: short stacking energy: -11.372 Base-Backbone interact. energy: -0.099 local terms energy: -25.975446 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -6.679 flat angles P-C4'-P energy: -5.097 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: 7, replica: 8 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -32.055412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.055412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.055412 (E_RNA) where: Base-Base interactions energy: -11.896 where: short stacking energy: -11.896 Base-Backbone interact. energy: -0.021 local terms energy: -20.138365 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -4.926 flat angles P-C4'-P energy: -2.988 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: 8, replica: 6 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -35.924420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.924420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.924420 (E_RNA) where: Base-Base interactions energy: -8.506 where: short stacking energy: -9.643 Base-Backbone interact. energy: -0.000 local terms energy: -27.418107 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -3.887 flat angles P-C4'-P energy: -2.267 tors. eta vs tors. theta energy: -6.801 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: 9, replica: 2 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -28.790092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.790092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.790092 (E_RNA) where: Base-Base interactions energy: -8.094 where: short stacking energy: -8.094 Base-Backbone interact. energy: -0.494 local terms energy: -20.202410 where: bonds (distance) C4'-P energy: -5.596 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.807 flat angles P-C4'-P energy: -2.027 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: 10, replica: 3 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -30.308758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.308758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.308758 (E_RNA) where: Base-Base interactions energy: -7.311 where: short stacking energy: -7.311 Base-Backbone interact. energy: -0.000 local terms energy: -22.997597 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -6.350 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: 0.289 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: 1, replica: 9 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -39.344974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.344974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.344974 (E_RNA) where: Base-Base interactions energy: -10.637 where: short stacking energy: -10.637 Base-Backbone interact. energy: -0.098 local terms energy: -28.610242 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.943 flat angles P-C4'-P energy: -5.346 tors. eta vs tors. theta energy: -3.598 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: 10 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -33.605444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.605444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.605444 (E_RNA) where: Base-Base interactions energy: -13.205 where: short stacking energy: -10.813 Base-Backbone interact. energy: -0.144 local terms energy: -20.256135 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -4.456 flat angles C4'-P-C4' energy: -6.321 flat angles P-C4'-P energy: -3.637 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: 3, replica: 4 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -33.480392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.480392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.480392 (E_RNA) where: Base-Base interactions energy: -12.137 where: short stacking energy: -12.137 Base-Backbone interact. energy: 1.312 local terms energy: -22.655667 where: bonds (distance) C4'-P energy: -6.953 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.539 flat angles P-C4'-P energy: -2.523 tors. eta vs tors. theta energy: -0.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -35.568794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.568794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.568794 (E_RNA) where: Base-Base interactions energy: -9.484 where: short stacking energy: -8.616 Base-Backbone interact. energy: -0.637 local terms energy: -25.447484 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.056 flat angles P-C4'-P energy: -2.210 tors. eta vs tors. theta energy: -3.558 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: 5, replica: 5 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -29.999809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.999809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.999809 (E_RNA) where: Base-Base interactions energy: -8.103 where: short stacking energy: -8.103 Base-Backbone interact. energy: 0.707 local terms energy: -22.603492 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -5.751 flat angles P-C4'-P energy: -3.513 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: 6, replica: 8 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -32.117233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.117233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.117233 (E_RNA) where: Base-Base interactions energy: -9.194 where: short stacking energy: -9.194 Base-Backbone interact. energy: -0.004 local terms energy: -22.919697 where: bonds (distance) C4'-P energy: -2.582 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.466 flat angles P-C4'-P energy: -5.966 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: 7, replica: 1 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -28.895162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.895162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.895162 (E_RNA) where: Base-Base interactions energy: -7.143 where: short stacking energy: -7.143 Base-Backbone interact. energy: -0.086 local terms energy: -21.665973 where: bonds (distance) C4'-P energy: -4.155 bonds (distance) P-C4' energy: -6.333 flat angles C4'-P-C4' energy: -6.514 flat angles P-C4'-P energy: -3.354 tors. eta vs tors. theta energy: -1.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -29.868611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.868611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.868611 (E_RNA) where: Base-Base interactions energy: -3.806 where: short stacking energy: -3.806 Base-Backbone interact. energy: -0.014 local terms energy: -26.048966 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -7.817 flat angles P-C4'-P energy: -4.345 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: 9, replica: 6 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -30.693864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.693864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.693864 (E_RNA) where: Base-Base interactions energy: -6.254 where: short stacking energy: -6.254 Base-Backbone interact. energy: -0.065 local terms energy: -24.375087 where: bonds (distance) C4'-P energy: -5.061 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.338 flat angles P-C4'-P energy: -5.259 tors. eta vs tors. theta energy: -3.067 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: 10, replica: 3 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -29.855586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.855586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.855586 (E_RNA) where: Base-Base interactions energy: -5.138 where: short stacking energy: -5.138 Base-Backbone interact. energy: -0.146 local terms energy: -24.571578 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.660 flat angles P-C4'-P energy: -2.766 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: 1, replica: 10 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -40.652478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.652478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.652478 (E_RNA) where: Base-Base interactions energy: -11.086 where: short stacking energy: -11.086 Base-Backbone interact. energy: -0.000 local terms energy: -29.566876 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -4.776 flat angles P-C4'-P energy: -4.819 tors. eta vs tors. theta energy: -6.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -34.359303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.359303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.359303 (E_RNA) where: Base-Base interactions energy: -11.471 where: short stacking energy: -11.471 Base-Backbone interact. energy: 0.067 local terms energy: -22.954884 where: bonds (distance) C4'-P energy: -4.821 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -6.316 flat angles P-C4'-P energy: -2.296 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: 3, replica: 7 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -33.845776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.845776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.845776 (E_RNA) where: Base-Base interactions energy: -9.590 where: short stacking energy: -9.590 Base-Backbone interact. energy: -0.005 local terms energy: -24.250502 where: bonds (distance) C4'-P energy: -5.024 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -6.220 flat angles P-C4'-P energy: -4.130 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: 4, replica: 4 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -35.813747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.813747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.813747 (E_RNA) where: Base-Base interactions energy: -11.826 where: short stacking energy: -11.826 Base-Backbone interact. energy: -0.911 local terms energy: -23.076207 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.656 flat angles P-C4'-P energy: -2.223 tors. eta vs tors. theta energy: -1.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -38.588375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.588375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.588375 (E_RNA) where: Base-Base interactions energy: -11.132 where: short stacking energy: -11.132 Base-Backbone interact. energy: -0.011 local terms energy: -27.445582 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.707 flat angles P-C4'-P energy: -3.894 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: 6, replica: 5 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -33.353758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.353758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.353758 (E_RNA) where: Base-Base interactions energy: -9.441 where: short stacking energy: -6.662 Base-Backbone interact. energy: -0.003 local terms energy: -23.910039 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.311 flat angles P-C4'-P energy: -4.411 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: 7, replica: 2 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -34.581883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.581883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.581883 (E_RNA) where: Base-Base interactions energy: -8.014 where: short stacking energy: -8.014 Base-Backbone interact. energy: 0.759 local terms energy: -27.327072 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.893 flat angles P-C4'-P energy: -5.300 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: 8, replica: 1 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -28.128044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.128044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.128044 (E_RNA) where: Base-Base interactions energy: -6.263 where: short stacking energy: -6.263 Base-Backbone interact. energy: -0.137 local terms energy: -21.728099 where: bonds (distance) C4'-P energy: -5.323 bonds (distance) P-C4' energy: -2.750 flat angles C4'-P-C4' energy: -7.060 flat angles P-C4'-P energy: -5.511 tors. eta vs tors. theta energy: -1.084 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: 3 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -30.456208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.456208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.456208 (E_RNA) where: Base-Base interactions energy: -7.733 where: short stacking energy: -7.733 Base-Backbone interact. energy: -0.005 local terms energy: -22.718155 where: bonds (distance) C4'-P energy: -5.566 bonds (distance) P-C4' energy: -4.465 flat angles C4'-P-C4' energy: -6.242 flat angles P-C4'-P energy: -3.252 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: 10, replica: 6 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -28.580540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.580540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.580540 (E_RNA) where: Base-Base interactions energy: -2.492 where: short stacking energy: -2.492 Base-Backbone interact. energy: -0.090 local terms energy: -25.998513 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -5.832 flat angles P-C4'-P energy: -5.522 tors. eta vs tors. theta energy: -1.822 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: 157 Temperature: 0.900000 Total energy: -39.325896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.325896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.325896 (E_RNA) where: Base-Base interactions energy: -13.167 where: short stacking energy: -11.594 Base-Backbone interact. energy: -0.034 local terms energy: -26.124478 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -5.744 flat angles P-C4'-P energy: -5.558 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: 9 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -36.436696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.436696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.436696 (E_RNA) where: Base-Base interactions energy: -12.004 where: short stacking energy: -12.004 Base-Backbone interact. energy: -0.099 local terms energy: -24.333853 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -5.895 flat angles C4'-P-C4' energy: -5.666 flat angles P-C4'-P energy: -3.477 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: 3, replica: 7 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -36.600683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.600683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.600683 (E_RNA) where: Base-Base interactions energy: -12.047 where: short stacking energy: -12.093 Base-Backbone interact. energy: -0.006 local terms energy: -24.547323 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -4.139 flat angles P-C4'-P energy: -5.243 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: 4, replica: 4 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -38.176450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.176450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.176450 (E_RNA) where: Base-Base interactions energy: -13.145 where: short stacking energy: -13.145 Base-Backbone interact. energy: -0.000 local terms energy: -25.031283 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -6.134 flat angles P-C4'-P energy: -5.021 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: 8 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -34.795488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.795488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.795488 (E_RNA) where: Base-Base interactions energy: -12.272 where: short stacking energy: -12.272 Base-Backbone interact. energy: 0.090 local terms energy: -22.613793 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -6.697 flat angles P-C4'-P energy: -4.469 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: 6, replica: 2 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -38.263721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.263721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.263721 (E_RNA) where: Base-Base interactions energy: -13.850 where: short stacking energy: -13.824 Base-Backbone interact. energy: -0.069 local terms energy: -24.345463 where: bonds (distance) C4'-P energy: -4.883 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -5.574 flat angles P-C4'-P energy: -2.812 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: 7, replica: 5 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -32.788984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.788984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.788984 (E_RNA) where: Base-Base interactions energy: -10.478 where: short stacking energy: -10.478 Base-Backbone interact. energy: -0.089 local terms energy: -22.222353 where: bonds (distance) C4'-P energy: -1.153 bonds (distance) P-C4' energy: -4.927 flat angles C4'-P-C4' energy: -6.562 flat angles P-C4'-P energy: -5.527 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: 8, replica: 3 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -25.472372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.472372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.472372 (E_RNA) where: Base-Base interactions energy: -3.022 where: short stacking energy: -3.022 Base-Backbone interact. energy: -0.062 local terms energy: -22.388422 where: bonds (distance) C4'-P energy: -5.787 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -3.320 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: 9, replica: 1 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -27.220773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.220773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.220773 (E_RNA) where: Base-Base interactions energy: -5.501 where: short stacking energy: -5.501 Base-Backbone interact. energy: -0.000 local terms energy: -21.719984 where: bonds (distance) C4'-P energy: -4.892 bonds (distance) P-C4' energy: -4.505 flat angles C4'-P-C4' energy: -5.945 flat angles P-C4'-P energy: -4.003 tors. eta vs tors. theta energy: -2.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -28.511783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.511783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.511783 (E_RNA) where: Base-Base interactions energy: -4.472 where: short stacking energy: -4.472 Base-Backbone interact. energy: -0.000 local terms energy: -24.040143 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.503 flat angles P-C4'-P energy: -5.396 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: 1, replica: 9 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -39.865100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.865100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.865100 (E_RNA) where: Base-Base interactions energy: -13.985 where: short stacking energy: -13.985 Base-Backbone interact. energy: -0.000 local terms energy: -25.880096 where: bonds (distance) C4'-P energy: -5.720 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.672 flat angles P-C4'-P energy: -3.807 tors. eta vs tors. theta energy: -1.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -34.658853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.658853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.658853 (E_RNA) where: Base-Base interactions energy: -7.928 where: short stacking energy: -7.928 Base-Backbone interact. energy: -0.031 local terms energy: -26.699282 where: bonds (distance) C4'-P energy: -5.024 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -7.426 flat angles P-C4'-P energy: -4.017 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: 4 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -38.490980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.490980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.490980 (E_RNA) where: Base-Base interactions energy: -10.256 where: short stacking energy: -10.323 Base-Backbone interact. energy: -0.007 local terms energy: -28.227839 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.787 flat angles C4'-P-C4' energy: -7.374 flat angles P-C4'-P energy: -4.059 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: 4, replica: 7 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -45.516926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.516926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.516926 (E_RNA) where: Base-Base interactions energy: -14.251 where: short stacking energy: -14.251 Base-Backbone interact. energy: -0.000 local terms energy: -31.265974 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.781 flat angles C4'-P-C4' energy: -6.212 flat angles P-C4'-P energy: -4.626 tors. eta vs tors. theta energy: -5.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -35.023127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.023127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.023127 (E_RNA) where: Base-Base interactions energy: -7.556 where: short stacking energy: -7.556 Base-Backbone interact. energy: -0.907 local terms energy: -26.559873 where: bonds (distance) C4'-P energy: -4.969 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.574 flat angles P-C4'-P energy: -3.662 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: 6, replica: 8 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -35.336204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.336204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.336204 (E_RNA) where: Base-Base interactions energy: -8.363 where: short stacking energy: -8.363 Base-Backbone interact. energy: -0.487 local terms energy: -26.485965 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.256 flat angles P-C4'-P energy: -4.655 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: 7, replica: 3 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -29.697103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.697103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.697103 (E_RNA) where: Base-Base interactions energy: -8.816 where: short stacking energy: -8.816 Base-Backbone interact. energy: -0.103 local terms energy: -20.777897 where: bonds (distance) C4'-P energy: -5.558 bonds (distance) P-C4' energy: -5.154 flat angles C4'-P-C4' energy: -6.515 flat angles P-C4'-P energy: -3.239 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: 8, replica: 5 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -31.418620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.418620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.418620 (E_RNA) where: Base-Base interactions energy: -5.903 where: short stacking energy: -5.903 Base-Backbone interact. energy: -0.001 local terms energy: -25.515390 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -4.028 flat angles P-C4'-P energy: -6.263 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: 9, replica: 6 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -36.716131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.716131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.716131 (E_RNA) where: Base-Base interactions energy: -7.839 where: short stacking energy: -7.839 Base-Backbone interact. energy: -0.000 local terms energy: -28.876999 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -6.519 flat angles P-C4'-P energy: -4.428 tors. eta vs tors. theta energy: -5.870 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: 1 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -29.251265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.251265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.251265 (E_RNA) where: Base-Base interactions energy: -6.881 where: short stacking energy: -6.881 Base-Backbone interact. energy: -0.037 local terms energy: -22.332666 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -6.831 flat angles P-C4'-P energy: -4.315 tors. eta vs tors. theta energy: 0.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -41.920703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.920703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.920703 (E_RNA) where: Base-Base interactions energy: -15.228 where: short stacking energy: -15.228 Base-Backbone interact. energy: -0.023 local terms energy: -26.669362 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -3.761 flat angles P-C4'-P energy: -3.946 tors. eta vs tors. theta energy: -4.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -33.562771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.562771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.562771 (E_RNA) where: Base-Base interactions energy: -10.060 where: short stacking energy: -10.060 Base-Backbone interact. energy: -0.001 local terms energy: -23.501433 where: bonds (distance) C4'-P energy: -3.186 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -7.616 flat angles P-C4'-P energy: -4.597 tors. eta vs tors. theta energy: -0.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -43.324910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.324910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.324910 (E_RNA) where: Base-Base interactions energy: -13.089 where: short stacking energy: -13.089 Base-Backbone interact. energy: -0.080 local terms energy: -30.156225 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.256 flat angles P-C4'-P energy: -4.501 tors. eta vs tors. theta energy: -6.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -33.028517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.028517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.028517 (E_RNA) where: Base-Base interactions energy: -7.516 where: short stacking energy: -7.516 Base-Backbone interact. energy: -0.093 local terms energy: -25.420259 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.405 flat angles P-C4'-P energy: -3.476 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: 5, replica: 7 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -36.959473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.959473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.959473 (E_RNA) where: Base-Base interactions energy: -10.798 where: short stacking energy: -10.798 Base-Backbone interact. energy: -0.001 local terms energy: -26.160982 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -3.975 tors. eta vs tors. theta energy: -2.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -30.126077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.126077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.126077 (E_RNA) where: Base-Base interactions energy: -7.905 where: short stacking energy: -7.905 Base-Backbone interact. energy: -0.015 local terms energy: -22.206040 where: bonds (distance) C4'-P energy: -5.351 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -6.215 flat angles P-C4'-P energy: -2.776 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: 7, replica: 8 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -30.430382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.430382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.430382 (E_RNA) where: Base-Base interactions energy: -7.057 where: short stacking energy: -7.057 Base-Backbone interact. energy: -0.026 local terms energy: -23.346788 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -4.011 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -4.252 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: 8, replica: 6 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -34.329420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.329420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.329420 (E_RNA) where: Base-Base interactions energy: -11.778 where: short stacking energy: -11.778 Base-Backbone interact. energy: -0.001 local terms energy: -22.550414 where: bonds (distance) C4'-P energy: -4.945 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -6.135 flat angles P-C4'-P energy: -3.461 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: 9, replica: 5 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -28.192700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.192700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.192700 (E_RNA) where: Base-Base interactions energy: -5.012 where: short stacking energy: -5.012 Base-Backbone interact. energy: -0.028 local terms energy: -23.152739 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -3.431 flat angles P-C4'-P energy: -3.857 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: 10, replica: 1 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -28.154052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.154052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.154052 (E_RNA) where: Base-Base interactions energy: -7.240 where: short stacking energy: -7.240 Base-Backbone interact. energy: -0.008 local terms energy: -20.905237 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -6.565 flat angles C4'-P-C4' energy: -4.974 flat angles P-C4'-P energy: -2.392 tors. eta vs tors. theta energy: -1.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -38.601912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.601912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.601912 (E_RNA) where: Base-Base interactions energy: -13.813 where: short stacking energy: -13.813 Base-Backbone interact. energy: -0.192 local terms energy: -24.597034 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -4.812 flat angles P-C4'-P energy: -4.841 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: 2, replica: 10 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -37.964156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.964156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.964156 (E_RNA) where: Base-Base interactions energy: -11.907 where: short stacking energy: -11.907 Base-Backbone interact. energy: -0.000 local terms energy: -26.057008 where: bonds (distance) C4'-P energy: -4.990 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.249 flat angles P-C4'-P energy: -4.240 tors. eta vs tors. theta energy: -4.251 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: 2 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -30.610591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.610591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.610591 (E_RNA) where: Base-Base interactions energy: -8.414 where: short stacking energy: -8.414 Base-Backbone interact. energy: -0.045 local terms energy: -22.152065 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -4.371 flat angles P-C4'-P energy: -4.241 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: 4, replica: 4 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -34.178770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.178770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.178770 (E_RNA) where: Base-Base interactions energy: -11.175 where: short stacking energy: -11.175 Base-Backbone interact. energy: -0.116 local terms energy: -22.887000 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -6.775 flat angles P-C4'-P energy: -2.867 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: 5, replica: 3 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -35.814896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.814896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.814896 (E_RNA) where: Base-Base interactions energy: -8.788 where: short stacking energy: -8.788 Base-Backbone interact. energy: -0.051 local terms energy: -26.975643 where: bonds (distance) C4'-P energy: -5.752 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -4.962 flat angles P-C4'-P energy: -4.153 tors. eta vs tors. theta energy: -5.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -34.082896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.082896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.082896 (E_RNA) where: Base-Base interactions energy: -8.868 where: short stacking energy: -8.868 Base-Backbone interact. energy: -0.012 local terms energy: -25.203295 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -3.095 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: 7, replica: 6 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -33.948492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.948492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.948492 (E_RNA) where: Base-Base interactions energy: -6.540 where: short stacking energy: -6.540 Base-Backbone interact. energy: -0.005 local terms energy: -27.403365 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.548 flat angles P-C4'-P energy: -4.225 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: 8, replica: 8 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -33.610774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.610774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.610774 (E_RNA) where: Base-Base interactions energy: -10.557 where: short stacking energy: -10.557 Base-Backbone interact. energy: -0.000 local terms energy: -23.053758 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.600 flat angles P-C4'-P energy: -4.252 tors. eta vs tors. theta energy: -1.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -34.525482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.525482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.525482 (E_RNA) where: Base-Base interactions energy: -8.991 where: short stacking energy: -8.948 Base-Backbone interact. energy: -0.002 local terms energy: -25.531975 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -6.526 flat angles C4'-P-C4' energy: -5.100 flat angles P-C4'-P energy: -4.443 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: 10, replica: 5 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -28.867743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.867743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.867743 (E_RNA) where: Base-Base interactions energy: -7.302 where: short stacking energy: -7.302 Base-Backbone interact. energy: -0.001 local terms energy: -21.564813 where: bonds (distance) C4'-P energy: -5.227 bonds (distance) P-C4' energy: -5.251 flat angles C4'-P-C4' energy: -6.319 flat angles P-C4'-P energy: -3.691 tors. eta vs tors. theta energy: -1.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -33.564176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.564176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.564176 (E_RNA) where: Base-Base interactions energy: -11.301 where: short stacking energy: -11.301 Base-Backbone interact. energy: 1.229 local terms energy: -23.491816 where: bonds (distance) C4'-P energy: -5.202 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.608 flat angles P-C4'-P energy: -4.494 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: 2, replica: 10 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -43.538193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.538193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.538193 (E_RNA) where: Base-Base interactions energy: -14.407 where: short stacking energy: -14.407 Base-Backbone interact. energy: -0.000 local terms energy: -29.131464 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -5.748 flat angles P-C4'-P energy: -3.777 tors. eta vs tors. theta energy: -6.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -34.716273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.716273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.716273 (E_RNA) where: Base-Base interactions energy: -10.422 where: short stacking energy: -10.422 Base-Backbone interact. energy: -0.000 local terms energy: -24.293696 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -6.055 flat angles P-C4'-P energy: -4.747 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: 4, replica: 3 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -33.289545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.289545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.289545 (E_RNA) where: Base-Base interactions energy: -9.090 where: short stacking energy: -9.090 Base-Backbone interact. energy: -0.103 local terms energy: -24.096145 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -7.455 flat angles P-C4'-P energy: -4.584 tors. eta vs tors. theta energy: 0.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -35.865341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.865341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.865341 (E_RNA) where: Base-Base interactions energy: -11.106 where: short stacking energy: -11.106 Base-Backbone interact. energy: -0.073 local terms energy: -24.686395 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.457 flat angles P-C4'-P energy: -4.059 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: 6 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -35.537352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.537352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.537352 (E_RNA) where: Base-Base interactions energy: -10.865 where: short stacking energy: -10.865 Base-Backbone interact. energy: -0.000 local terms energy: -24.672356 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -5.875 flat angles P-C4'-P energy: -4.541 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: 7, replica: 7 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -31.301682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.301682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.301682 (E_RNA) where: Base-Base interactions energy: -10.834 where: short stacking energy: -10.834 Base-Backbone interact. energy: -0.077 local terms energy: -20.391315 where: bonds (distance) C4'-P energy: -5.479 bonds (distance) P-C4' energy: -6.735 flat angles C4'-P-C4' energy: -3.730 flat angles P-C4'-P energy: -3.578 tors. eta vs tors. theta energy: -0.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -30.622205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.622205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.622205 (E_RNA) where: Base-Base interactions energy: -5.474 where: short stacking energy: -5.474 Base-Backbone interact. energy: -0.017 local terms energy: -25.131012 where: bonds (distance) C4'-P energy: -5.785 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -3.617 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: 8 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -29.192579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.192579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.192579 (E_RNA) where: Base-Base interactions energy: -7.334 where: short stacking energy: -7.334 Base-Backbone interact. energy: -0.134 local terms energy: -21.725385 where: bonds (distance) C4'-P energy: -4.356 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -7.097 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: 0.858 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: 161 Temperature: 1.350000 Total energy: -30.431106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.431106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.431106 (E_RNA) where: Base-Base interactions energy: -9.815 where: short stacking energy: -9.815 Base-Backbone interact. energy: -0.020 local terms energy: -20.596339 where: bonds (distance) C4'-P energy: -1.902 bonds (distance) P-C4' energy: -5.152 flat angles C4'-P-C4' energy: -7.488 flat angles P-C4'-P energy: -2.241 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: 1, replica: 10 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -39.811045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.811045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.811045 (E_RNA) where: Base-Base interactions energy: -12.251 where: short stacking energy: -10.343 Base-Backbone interact. energy: -0.000 local terms energy: -27.559888 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.205 flat angles P-C4'-P energy: -4.578 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: 2, replica: 9 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -35.446529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.446529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.446529 (E_RNA) where: Base-Base interactions energy: -13.571 where: short stacking energy: -13.571 Base-Backbone interact. energy: -0.007 local terms energy: -21.868170 where: bonds (distance) C4'-P energy: -5.413 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.959 flat angles P-C4'-P energy: -4.754 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: 3 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -31.060543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.060543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.060543 (E_RNA) where: Base-Base interactions energy: -9.340 where: short stacking energy: -9.340 Base-Backbone interact. energy: -0.054 local terms energy: -21.666922 where: bonds (distance) C4'-P energy: -4.606 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -6.351 flat angles P-C4'-P energy: -4.360 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: 4, replica: 2 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -36.192410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.192410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.192410 (E_RNA) where: Base-Base interactions energy: -8.253 where: short stacking energy: -8.253 Base-Backbone interact. energy: -0.001 local terms energy: -27.939166 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -6.243 flat angles P-C4'-P energy: -4.489 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: 5, replica: 6 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -35.052388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.052388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.052388 (E_RNA) where: Base-Base interactions energy: -9.297 where: short stacking energy: -9.297 Base-Backbone interact. energy: -0.060 local terms energy: -25.694939 where: bonds (distance) C4'-P energy: -5.620 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.625 flat angles P-C4'-P energy: -1.668 tors. eta vs tors. theta energy: -4.751 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: 4 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -32.583106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.583106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.583106 (E_RNA) where: Base-Base interactions energy: -10.098 where: short stacking energy: -10.098 Base-Backbone interact. energy: 0.045 local terms energy: -22.530454 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.794 flat angles C4'-P-C4' energy: -5.282 flat angles P-C4'-P energy: -3.854 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: 7, replica: 1 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -30.922850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.922850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.922850 (E_RNA) where: Base-Base interactions energy: -6.646 where: short stacking energy: -6.746 Base-Backbone interact. energy: 0.159 local terms energy: -24.436436 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -6.286 flat angles C4'-P-C4' energy: -6.885 flat angles P-C4'-P energy: -3.850 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: 7 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -31.538034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.538034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.538034 (E_RNA) where: Base-Base interactions energy: -7.559 where: short stacking energy: -7.559 Base-Backbone interact. energy: -0.101 local terms energy: -23.877563 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.242 flat angles P-C4'-P energy: -1.299 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: 9, replica: 5 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -29.429541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.429541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.429541 (E_RNA) where: Base-Base interactions energy: -3.002 where: short stacking energy: -3.002 Base-Backbone interact. energy: -0.000 local terms energy: -26.427199 where: bonds (distance) C4'-P energy: -4.192 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -4.948 flat angles P-C4'-P energy: -3.749 tors. eta vs tors. theta energy: -6.025 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: 8 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -29.840518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.840518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.840518 (E_RNA) where: Base-Base interactions energy: -8.988 where: short stacking energy: -8.988 Base-Backbone interact. energy: -0.035 local terms energy: -20.817242 where: bonds (distance) C4'-P energy: -4.900 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.653 flat angles P-C4'-P energy: -3.186 tors. eta vs tors. theta energy: 0.453 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: 1, replica: 10 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -42.850981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.850981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.850981 (E_RNA) where: Base-Base interactions energy: -12.638 where: short stacking energy: -12.638 Base-Backbone interact. energy: -0.052 local terms energy: -30.161067 where: bonds (distance) C4'-P energy: -5.139 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -7.146 flat angles P-C4'-P energy: -5.434 tors. eta vs tors. theta energy: -5.162 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: 2, replica: 3 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -42.300467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.300467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.300467 (E_RNA) where: Base-Base interactions energy: -14.595 where: short stacking energy: -14.595 Base-Backbone interact. energy: -1.085 local terms energy: -26.620543 where: bonds (distance) C4'-P energy: -6.891 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -6.719 flat angles P-C4'-P energy: -3.189 tors. eta vs tors. theta energy: -5.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -36.678139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.678139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.678139 (E_RNA) where: Base-Base interactions energy: -11.826 where: short stacking energy: -11.826 Base-Backbone interact. energy: -0.100 local terms energy: -24.752377 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -6.520 flat angles P-C4'-P energy: -4.722 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: 4, replica: 6 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -38.867919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.867919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.867919 (E_RNA) where: Base-Base interactions energy: -15.052 where: short stacking energy: -15.052 Base-Backbone interact. energy: -0.000 local terms energy: -23.815844 where: bonds (distance) C4'-P energy: -4.135 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -5.941 flat angles P-C4'-P energy: -5.517 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: 5, replica: 2 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -33.750502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.750502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.750502 (E_RNA) where: Base-Base interactions energy: -11.212 where: short stacking energy: -11.212 Base-Backbone interact. energy: 0.078 local terms energy: -22.616146 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -1.816 tors. eta vs tors. theta energy: -3.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -39.263492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.263492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.263492 (E_RNA) where: Base-Base interactions energy: -15.352 where: short stacking energy: -15.352 Base-Backbone interact. energy: -0.000 local terms energy: -23.911706 where: bonds (distance) C4'-P energy: -5.317 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -6.117 flat angles P-C4'-P energy: -1.874 tors. eta vs tors. theta energy: -5.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -35.074713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.074713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.074713 (E_RNA) where: Base-Base interactions energy: -11.041 where: short stacking energy: -11.041 Base-Backbone interact. energy: 0.059 local terms energy: -24.092264 where: bonds (distance) C4'-P energy: -5.599 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.540 flat angles P-C4'-P energy: -3.932 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: 8, replica: 5 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -28.753446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.753446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.753446 (E_RNA) where: Base-Base interactions energy: -6.121 where: short stacking energy: -6.121 Base-Backbone interact. energy: -0.359 local terms energy: -22.273466 where: bonds (distance) C4'-P energy: -7.032 bonds (distance) P-C4' energy: -6.047 flat angles C4'-P-C4' energy: -4.455 flat angles P-C4'-P energy: -4.467 tors. eta vs tors. theta energy: -0.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -29.041490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.041490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.041490 (E_RNA) where: Base-Base interactions energy: -5.958 where: short stacking energy: -5.958 Base-Backbone interact. energy: 0.080 local terms energy: -23.162877 where: bonds (distance) C4'-P energy: -4.581 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -6.022 flat angles P-C4'-P energy: -4.088 tors. eta vs tors. theta energy: -2.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -26.204865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.204865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.204865 (E_RNA) where: Base-Base interactions energy: -4.445 where: short stacking energy: -3.820 Base-Backbone interact. energy: -0.024 local terms energy: -21.736253 where: bonds (distance) C4'-P energy: -4.178 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.117 flat angles P-C4'-P energy: -4.579 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: 1, replica: 3 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -38.175955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.175955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.175955 (E_RNA) where: Base-Base interactions energy: -11.331 where: short stacking energy: -11.331 Base-Backbone interact. energy: -0.078 local terms energy: -26.767684 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.432 flat angles P-C4'-P energy: -5.383 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: 2, replica: 10 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -43.562632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.562632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.562632 (E_RNA) where: Base-Base interactions energy: -13.891 where: short stacking energy: -13.891 Base-Backbone interact. energy: -0.000 local terms energy: -29.671955 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -6.208 flat angles P-C4'-P energy: -4.777 tors. eta vs tors. theta energy: -5.622 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: 3, replica: 6 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -38.729991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.729991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.729991 (E_RNA) where: Base-Base interactions energy: -10.380 where: short stacking energy: -10.380 Base-Backbone interact. energy: -0.004 local terms energy: -28.345908 where: bonds (distance) C4'-P energy: -4.668 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -7.027 flat angles P-C4'-P energy: -5.156 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: 4, replica: 9 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -32.506066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.506066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.506066 (E_RNA) where: Base-Base interactions energy: -11.083 where: short stacking energy: -11.083 Base-Backbone interact. energy: -0.075 local terms energy: -21.347810 where: bonds (distance) C4'-P energy: -3.599 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -6.827 flat angles P-C4'-P energy: -2.998 tors. eta vs tors. theta energy: -2.408 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: 5, replica: 2 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -33.092964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.092964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.092964 (E_RNA) where: Base-Base interactions energy: -12.043 where: short stacking energy: -12.043 Base-Backbone interact. energy: -0.022 local terms energy: -21.027855 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -6.027 flat angles P-C4'-P energy: -2.861 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: 6, replica: 1 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -30.486042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.486042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.486042 (E_RNA) where: Base-Base interactions energy: -8.270 where: short stacking energy: -8.270 Base-Backbone interact. energy: -0.002 local terms energy: -22.214685 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.549 flat angles P-C4'-P energy: -2.720 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: 7, replica: 5 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -27.622268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.622268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.622268 (E_RNA) where: Base-Base interactions energy: -8.441 where: short stacking energy: -8.441 Base-Backbone interact. energy: -0.098 local terms energy: -19.083154 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -5.713 flat angles C4'-P-C4' energy: -4.640 flat angles P-C4'-P energy: -4.794 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: 8, replica: 4 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -31.907182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.907182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.907182 (E_RNA) where: Base-Base interactions energy: -7.997 where: short stacking energy: -7.997 Base-Backbone interact. energy: -0.011 local terms energy: -23.898847 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.307 flat angles P-C4'-P energy: -5.463 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: 9, replica: 8 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -27.382902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.382902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.382902 (E_RNA) where: Base-Base interactions energy: -0.455 where: short stacking energy: -0.455 Base-Backbone interact. energy: -0.093 local terms energy: -26.834962 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -5.679 flat angles P-C4'-P energy: -5.480 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: 10, replica: 7 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -28.572859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.572859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.572859 (E_RNA) where: Base-Base interactions energy: -5.659 where: short stacking energy: -5.659 Base-Backbone interact. energy: -0.000 local terms energy: -22.913813 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -2.532 tors. eta vs tors. theta energy: -0.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -38.205237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.205237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.205237 (E_RNA) where: Base-Base interactions energy: -11.038 where: short stacking energy: -11.038 Base-Backbone interact. energy: -0.002 local terms energy: -27.165400 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -4.758 flat angles P-C4'-P energy: -3.455 tors. eta vs tors. theta energy: -4.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -38.723613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.723613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.723613 (E_RNA) where: Base-Base interactions energy: -12.773 where: short stacking energy: -12.773 Base-Backbone interact. energy: -0.004 local terms energy: -25.946113 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -5.877 flat angles P-C4'-P energy: -3.142 tors. eta vs tors. theta energy: -3.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -35.207407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.207407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.207407 (E_RNA) where: Base-Base interactions energy: -8.723 where: short stacking energy: -8.723 Base-Backbone interact. energy: -0.043 local terms energy: -26.442081 where: bonds (distance) C4'-P energy: -4.072 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.137 flat angles P-C4'-P energy: -4.613 tors. eta vs tors. theta energy: -4.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -32.047237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.047237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.047237 (E_RNA) where: Base-Base interactions energy: -9.465 where: short stacking energy: -9.465 Base-Backbone interact. energy: -0.001 local terms energy: -22.580732 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.102 flat angles P-C4'-P energy: -2.305 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: 5, replica: 9 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -38.249445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.249445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.249445 (E_RNA) where: Base-Base interactions energy: -13.991 where: short stacking energy: -13.991 Base-Backbone interact. energy: -0.001 local terms energy: -24.257969 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.811 flat angles P-C4'-P energy: -3.372 tors. eta vs tors. theta energy: -0.629 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: 5 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -38.785651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.785651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.785651 (E_RNA) where: Base-Base interactions energy: -11.076 where: short stacking energy: -11.076 Base-Backbone interact. energy: -0.103 local terms energy: -27.606824 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -6.765 flat angles P-C4'-P energy: -3.614 tors. eta vs tors. theta energy: -2.957 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: 1 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -32.322351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.322351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.322351 (E_RNA) where: Base-Base interactions energy: -12.068 where: short stacking energy: -12.068 Base-Backbone interact. energy: -0.001 local terms energy: -20.253785 where: bonds (distance) C4'-P energy: -3.977 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -5.031 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: -0.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -33.298504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.298504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.298504 (E_RNA) where: Base-Base interactions energy: -10.247 where: short stacking energy: -10.247 Base-Backbone interact. energy: -0.000 local terms energy: -23.051829 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.152 flat angles C4'-P-C4' energy: -5.069 flat angles P-C4'-P energy: -3.463 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: 4 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -27.877747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.877747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.877747 (E_RNA) where: Base-Base interactions energy: -9.977 where: short stacking energy: -9.977 Base-Backbone interact. energy: -0.002 local terms energy: -17.898590 where: bonds (distance) C4'-P energy: -5.157 bonds (distance) P-C4' energy: -5.157 flat angles C4'-P-C4' energy: -7.088 flat angles P-C4'-P energy: 0.231 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: 7 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -30.539615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.539615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.539615 (E_RNA) where: Base-Base interactions energy: -5.708 where: short stacking energy: -5.708 Base-Backbone interact. energy: -0.020 local terms energy: -24.811942 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -5.565 flat angles P-C4'-P energy: -5.671 tors. eta vs tors. theta energy: -2.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -36.878516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.878516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.878516 (E_RNA) where: Base-Base interactions energy: -10.271 where: short stacking energy: -10.271 Base-Backbone interact. energy: -0.047 local terms energy: -26.560869 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.560 flat angles P-C4'-P energy: -3.197 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: 2, replica: 3 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -35.308954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.308954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.308954 (E_RNA) where: Base-Base interactions energy: -9.079 where: short stacking energy: -8.637 Base-Backbone interact. energy: -0.045 local terms energy: -26.184705 where: bonds (distance) C4'-P energy: -4.593 bonds (distance) P-C4' energy: -6.286 flat angles C4'-P-C4' energy: -7.004 flat angles P-C4'-P energy: -4.432 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: 3, replica: 2 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -37.557791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.557791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.557791 (E_RNA) where: Base-Base interactions energy: -11.650 where: short stacking energy: -11.650 Base-Backbone interact. energy: -0.003 local terms energy: -25.904795 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -4.533 flat angles P-C4'-P energy: -5.673 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: 4, replica: 6 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -35.000078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.000078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.000078 (E_RNA) where: Base-Base interactions energy: -11.931 where: short stacking energy: -11.931 Base-Backbone interact. energy: -0.015 local terms energy: -23.053423 where: bonds (distance) C4'-P energy: -4.767 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.817 flat angles P-C4'-P energy: -3.448 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: 5, replica: 5 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -31.075372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.075372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.075372 (E_RNA) where: Base-Base interactions energy: -4.804 where: short stacking energy: -4.804 Base-Backbone interact. energy: -0.293 local terms energy: -25.978206 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -4.591 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: -4.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -29.597765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.597765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.597765 (E_RNA) where: Base-Base interactions energy: -3.347 where: short stacking energy: -3.347 Base-Backbone interact. energy: -0.713 local terms energy: -25.536919 where: bonds (distance) C4'-P energy: -6.100 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -6.706 flat angles P-C4'-P energy: -3.920 tors. eta vs tors. theta energy: -2.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -31.508180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.508180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.508180 (E_RNA) where: Base-Base interactions energy: -2.934 where: short stacking energy: -2.934 Base-Backbone interact. energy: -0.048 local terms energy: -28.526577 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -7.043 flat angles P-C4'-P energy: -5.092 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: 8, replica: 1 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -29.556691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.556691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.556691 (E_RNA) where: Base-Base interactions energy: -7.173 where: short stacking energy: -7.173 Base-Backbone interact. energy: -0.001 local terms energy: -22.382652 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -3.963 flat angles P-C4'-P energy: -3.840 tors. eta vs tors. theta energy: -1.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -27.121931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.121931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.121931 (E_RNA) where: Base-Base interactions energy: -4.951 where: short stacking energy: -4.951 Base-Backbone interact. energy: -0.000 local terms energy: -22.170142 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.367 flat angles P-C4'-P energy: -3.777 tors. eta vs tors. theta energy: 0.897 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: 7 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -26.871170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.871170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.871170 (E_RNA) where: Base-Base interactions energy: -1.969 where: short stacking energy: -1.969 Base-Backbone interact. energy: -0.107 local terms energy: -24.794855 where: bonds (distance) C4'-P energy: -5.725 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.771 flat angles P-C4'-P energy: -5.397 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: 10 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -36.491615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.491615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.491615 (E_RNA) where: Base-Base interactions energy: -9.002 where: short stacking energy: -7.563 Base-Backbone interact. energy: -0.224 local terms energy: -27.265919 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.517 flat angles P-C4'-P energy: -4.837 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: 2, replica: 2 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -43.229784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.229784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.229784 (E_RNA) where: Base-Base interactions energy: -14.350 where: short stacking energy: -14.350 Base-Backbone interact. energy: -0.001 local terms energy: -28.879109 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -7.324 flat angles P-C4'-P energy: -4.211 tors. eta vs tors. theta energy: -4.314 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: 3 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -36.394125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.394125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.394125 (E_RNA) where: Base-Base interactions energy: -10.527 where: short stacking energy: -10.527 Base-Backbone interact. energy: -0.057 local terms energy: -25.810098 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.557 flat angles P-C4'-P energy: -5.180 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: 4, replica: 5 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -35.339019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.339019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.339019 (E_RNA) where: Base-Base interactions energy: -10.901 where: short stacking energy: -10.901 Base-Backbone interact. energy: -0.000 local terms energy: -24.438401 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -7.781 flat angles C4'-P-C4' energy: -5.990 flat angles P-C4'-P energy: -3.823 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: 5, replica: 6 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -32.214323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.214323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.214323 (E_RNA) where: Base-Base interactions energy: -11.549 where: short stacking energy: -11.549 Base-Backbone interact. energy: -0.031 local terms energy: -20.635057 where: bonds (distance) C4'-P energy: -5.959 bonds (distance) P-C4' energy: -4.768 flat angles C4'-P-C4' energy: -5.667 flat angles P-C4'-P energy: -2.433 tors. eta vs tors. theta energy: -1.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -30.741132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.741132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.741132 (E_RNA) where: Base-Base interactions energy: -7.553 where: short stacking energy: -7.553 Base-Backbone interact. energy: -0.027 local terms energy: -23.161905 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.857 flat angles C4'-P-C4' energy: -4.032 flat angles P-C4'-P energy: -4.664 tors. eta vs tors. theta energy: -1.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -29.598217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.598217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.598217 (E_RNA) where: Base-Base interactions energy: -4.733 where: short stacking energy: -4.733 Base-Backbone interact. energy: -0.017 local terms energy: -24.848958 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.059 flat angles P-C4'-P energy: -5.939 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: 8, replica: 1 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -34.457304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.457304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.457304 (E_RNA) where: Base-Base interactions energy: -9.363 where: short stacking energy: -9.363 Base-Backbone interact. energy: 0.621 local terms energy: -25.715434 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.128 flat angles P-C4'-P energy: -3.150 tors. eta vs tors. theta energy: -4.016 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: 4 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -33.957425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.957425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.957425 (E_RNA) where: Base-Base interactions energy: -8.826 where: short stacking energy: -8.826 Base-Backbone interact. energy: -0.155 local terms energy: -24.976303 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.998 flat angles P-C4'-P energy: -2.706 tors. eta vs tors. theta energy: -0.540 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: 167 Temperature: 1.350000 Total energy: -30.411892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.411892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.411892 (E_RNA) where: Base-Base interactions energy: -10.597 where: short stacking energy: -6.969 Base-Backbone interact. energy: -0.016 local terms energy: -19.798968 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -3.039 flat angles P-C4'-P energy: -4.219 tors. eta vs tors. theta energy: 1.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -37.759228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.759228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.759228 (E_RNA) where: Base-Base interactions energy: -12.166 where: short stacking energy: -12.166 Base-Backbone interact. energy: -0.077 local terms energy: -25.516558 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.959 flat angles P-C4'-P energy: -3.822 tors. eta vs tors. theta energy: -0.446 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: 10 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -36.505838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.505838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.505838 (E_RNA) where: Base-Base interactions energy: -8.903 where: short stacking energy: -7.593 Base-Backbone interact. energy: -0.000 local terms energy: -27.602163 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.358 flat angles P-C4'-P energy: -3.730 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: 3, replica: 5 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -34.659443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.659443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.659443 (E_RNA) where: Base-Base interactions energy: -11.306 where: short stacking energy: -8.944 Base-Backbone interact. energy: -0.055 local terms energy: -23.298400 where: bonds (distance) C4'-P energy: -4.942 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -7.415 flat angles P-C4'-P energy: -2.353 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: 4, replica: 3 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -36.104925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.104925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.104925 (E_RNA) where: Base-Base interactions energy: -10.708 where: short stacking energy: -10.708 Base-Backbone interact. energy: -0.001 local terms energy: -25.396085 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -5.941 flat angles P-C4'-P energy: -2.337 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: 5, replica: 8 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -44.985303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.985303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.985303 (E_RNA) where: Base-Base interactions energy: -15.921 where: short stacking energy: -15.921 Base-Backbone interact. energy: -0.013 local terms energy: -29.051095 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -6.875 flat angles P-C4'-P energy: -3.622 tors. eta vs tors. theta energy: -5.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -31.346920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.346920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.346920 (E_RNA) where: Base-Base interactions energy: -10.930 where: short stacking energy: -10.930 Base-Backbone interact. energy: -0.007 local terms energy: -20.409628 where: bonds (distance) C4'-P energy: -3.338 bonds (distance) P-C4' energy: -4.470 flat angles C4'-P-C4' energy: -5.089 flat angles P-C4'-P energy: -3.555 tors. eta vs tors. theta energy: -3.958 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: 1 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -27.712606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.712606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.712606 (E_RNA) where: Base-Base interactions energy: -5.317 where: short stacking energy: -5.317 Base-Backbone interact. energy: -0.039 local terms energy: -22.356673 where: bonds (distance) C4'-P energy: -5.902 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.342 flat angles P-C4'-P energy: -3.563 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: 9 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -27.445990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.445990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.445990 (E_RNA) where: Base-Base interactions energy: -6.314 where: short stacking energy: -6.314 Base-Backbone interact. energy: -0.308 local terms energy: -20.823989 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.699 flat angles P-C4'-P energy: -4.123 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: 9, replica: 7 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -31.257597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.257597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.257597 (E_RNA) where: Base-Base interactions energy: -9.951 where: short stacking energy: -9.951 Base-Backbone interact. energy: -0.003 local terms energy: -21.303380 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -3.821 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -5.575 tors. eta vs tors. theta energy: -2.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -27.103553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.103553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.103553 (E_RNA) where: Base-Base interactions energy: -4.505 where: short stacking energy: -4.505 Base-Backbone interact. energy: -0.002 local terms energy: -22.596343 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -5.031 flat angles C4'-P-C4' energy: -6.449 flat angles P-C4'-P energy: -2.754 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: 1, replica: 2 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -37.670616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.670616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.670616 (E_RNA) where: Base-Base interactions energy: -11.605 where: short stacking energy: -11.605 Base-Backbone interact. energy: -0.081 local terms energy: -25.984361 where: bonds (distance) C4'-P energy: -2.722 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.831 flat angles P-C4'-P energy: -4.911 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: 5 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -41.876689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.876689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.876689 (E_RNA) where: Base-Base interactions energy: -16.274 where: short stacking energy: -14.082 Base-Backbone interact. energy: -0.003 local terms energy: -25.599585 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: -3.928 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: 3, replica: 10 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -35.306446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.306446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.306446 (E_RNA) where: Base-Base interactions energy: -7.411 where: short stacking energy: -7.411 Base-Backbone interact. energy: -0.070 local terms energy: -27.825129 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.256 flat angles P-C4'-P energy: -4.387 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: 8 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -36.113407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.113407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.113407 (E_RNA) where: Base-Base interactions energy: -11.282 where: short stacking energy: -11.282 Base-Backbone interact. energy: -0.116 local terms energy: -24.715039 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.198 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -2.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -33.353112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.353112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.353112 (E_RNA) where: Base-Base interactions energy: -6.988 where: short stacking energy: -6.988 Base-Backbone interact. energy: -0.204 local terms energy: -26.161115 where: bonds (distance) C4'-P energy: -6.013 bonds (distance) P-C4' energy: -5.882 flat angles C4'-P-C4' energy: -7.814 flat angles P-C4'-P energy: -4.647 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: 6, replica: 1 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -31.314859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.314859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.314859 (E_RNA) where: Base-Base interactions energy: -7.485 where: short stacking energy: -7.485 Base-Backbone interact. energy: -0.023 local terms energy: -23.807721 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -4.874 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: 7, replica: 6 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -32.848147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.848147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.848147 (E_RNA) where: Base-Base interactions energy: -10.760 where: short stacking energy: -10.760 Base-Backbone interact. energy: -0.081 local terms energy: -22.007102 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -7.010 flat angles C4'-P-C4' energy: -6.041 flat angles P-C4'-P energy: -4.123 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: 8, replica: 7 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -31.904102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.904102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.904102 (E_RNA) where: Base-Base interactions energy: -10.481 where: short stacking energy: -10.481 Base-Backbone interact. energy: -0.011 local terms energy: -21.411976 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -3.491 flat angles P-C4'-P energy: -3.992 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: 9, replica: 9 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -27.818734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.818734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.818734 (E_RNA) where: Base-Base interactions energy: -8.198 where: short stacking energy: -8.198 Base-Backbone interact. energy: -0.002 local terms energy: -19.618763 where: bonds (distance) C4'-P energy: -7.255 bonds (distance) P-C4' energy: -5.424 flat angles C4'-P-C4' energy: -5.245 flat angles P-C4'-P energy: -0.070 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: 10, replica: 4 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -30.731300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.731300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.731300 (E_RNA) where: Base-Base interactions energy: -8.816 where: short stacking energy: -8.816 Base-Backbone interact. energy: -0.066 local terms energy: -21.849280 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -6.375 flat angles P-C4'-P energy: -3.104 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: 1, replica: 5 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -43.673803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.673803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.673803 (E_RNA) where: Base-Base interactions energy: -15.240 where: short stacking energy: -15.240 Base-Backbone interact. energy: -0.000 local terms energy: -28.433477 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.142 flat angles P-C4'-P energy: -5.755 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: 2, replica: 2 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -42.864078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.864078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.864078 (E_RNA) where: Base-Base interactions energy: -13.952 where: short stacking energy: -13.952 Base-Backbone interact. energy: -0.000 local terms energy: -28.911695 where: bonds (distance) C4'-P energy: -3.222 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -7.746 flat angles P-C4'-P energy: -5.661 tors. eta vs tors. theta energy: -5.424 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: 3, replica: 8 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -35.982348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.982348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.982348 (E_RNA) where: Base-Base interactions energy: -11.262 where: short stacking energy: -11.262 Base-Backbone interact. energy: -0.065 local terms energy: -24.655051 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.099 flat angles P-C4'-P energy: -2.669 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: 4, replica: 10 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -33.702747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.702747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.702747 (E_RNA) where: Base-Base interactions energy: -7.251 where: short stacking energy: -7.251 Base-Backbone interact. energy: -0.001 local terms energy: -26.451404 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.142 flat angles P-C4'-P energy: -4.250 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: 5, replica: 1 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -31.053162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.053162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.053162 (E_RNA) where: Base-Base interactions energy: -4.072 where: short stacking energy: -4.072 Base-Backbone interact. energy: -0.012 local terms energy: -26.968456 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -6.820 flat angles P-C4'-P energy: -5.562 tors. eta vs tors. theta energy: -1.519 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: 6, replica: 3 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -30.985529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.985529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.985529 (E_RNA) where: Base-Base interactions energy: -8.596 where: short stacking energy: -8.596 Base-Backbone interact. energy: -0.128 local terms energy: -22.262030 where: bonds (distance) C4'-P energy: -5.718 bonds (distance) P-C4' energy: -6.222 flat angles C4'-P-C4' energy: -5.920 flat angles P-C4'-P energy: -4.103 tors. eta vs tors. theta energy: -0.298 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: 7 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -33.178681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.178681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.178681 (E_RNA) where: Base-Base interactions energy: -10.366 where: short stacking energy: -10.366 Base-Backbone interact. energy: -0.005 local terms energy: -22.808026 where: bonds (distance) C4'-P energy: -5.997 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.121 flat angles P-C4'-P energy: -2.898 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: 8, replica: 6 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -27.050766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.050766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.050766 (E_RNA) where: Base-Base interactions energy: -3.588 where: short stacking energy: -3.588 Base-Backbone interact. energy: -0.055 local terms energy: -23.407655 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -4.874 flat angles P-C4'-P energy: -4.142 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: 9, replica: 4 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -28.175111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.175111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.175111 (E_RNA) where: Base-Base interactions energy: -8.587 where: short stacking energy: -8.587 Base-Backbone interact. energy: -0.013 local terms energy: -19.574919 where: bonds (distance) C4'-P energy: -4.729 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -6.044 flat angles P-C4'-P energy: -2.603 tors. eta vs tors. theta energy: -1.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -29.592143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.592143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.592143 (E_RNA) where: Base-Base interactions energy: -8.741 where: short stacking energy: -8.741 Base-Backbone interact. energy: -0.006 local terms energy: -20.844789 where: bonds (distance) C4'-P energy: -5.132 bonds (distance) P-C4' energy: -5.879 flat angles C4'-P-C4' energy: -6.384 flat angles P-C4'-P energy: -4.901 tors. eta vs tors. theta energy: 1.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -45.558412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.558412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.558412 (E_RNA) where: Base-Base interactions energy: -16.525 where: short stacking energy: -15.720 Base-Backbone interact. energy: -0.000 local terms energy: -29.032996 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -7.076 flat angles P-C4'-P energy: -4.039 tors. eta vs tors. theta energy: -5.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -37.430753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.430753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.430753 (E_RNA) where: Base-Base interactions energy: -10.470 where: short stacking energy: -10.470 Base-Backbone interact. energy: -0.001 local terms energy: -26.960257 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.868 flat angles P-C4'-P energy: -5.313 tors. eta vs tors. theta energy: -2.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -37.535136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.535136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.535136 (E_RNA) where: Base-Base interactions energy: -10.993 where: short stacking energy: -10.993 Base-Backbone interact. energy: -0.007 local terms energy: -26.534704 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -6.824 flat angles P-C4'-P energy: -4.540 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: 4, replica: 1 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -37.400560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.400560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.400560 (E_RNA) where: Base-Base interactions energy: -8.704 where: short stacking energy: -8.704 Base-Backbone interact. energy: -0.098 local terms energy: -28.598230 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -3.872 flat angles P-C4'-P energy: -6.146 tors. eta vs tors. theta energy: -4.375 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: 10 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -35.529895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.529895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.529895 (E_RNA) where: Base-Base interactions energy: -10.209 where: short stacking energy: -10.209 Base-Backbone interact. energy: -0.064 local terms energy: -25.256680 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.463 flat angles P-C4'-P energy: -4.650 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: 6, replica: 7 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -33.290141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.290141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.290141 (E_RNA) where: Base-Base interactions energy: -13.293 where: short stacking energy: -11.743 Base-Backbone interact. energy: -0.003 local terms energy: -19.994806 where: bonds (distance) C4'-P energy: -6.072 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -5.633 flat angles P-C4'-P energy: -3.892 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: 7, replica: 3 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -35.754491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.754491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.754491 (E_RNA) where: Base-Base interactions energy: -12.425 where: short stacking energy: -10.441 Base-Backbone interact. energy: -0.294 local terms energy: -23.036038 where: bonds (distance) C4'-P energy: -5.661 bonds (distance) P-C4' energy: -7.246 flat angles C4'-P-C4' energy: -3.695 flat angles P-C4'-P energy: -5.496 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: 4 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -34.158093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.158093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.158093 (E_RNA) where: Base-Base interactions energy: -11.551 where: short stacking energy: -11.551 Base-Backbone interact. energy: -0.001 local terms energy: -22.605946 where: bonds (distance) C4'-P energy: -5.318 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -2.117 tors. eta vs tors. theta energy: -2.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -27.493111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.493111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.493111 (E_RNA) where: Base-Base interactions energy: -4.411 where: short stacking energy: -4.411 Base-Backbone interact. energy: -0.080 local terms energy: -23.002229 where: bonds (distance) C4'-P energy: -2.656 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.239 flat angles P-C4'-P energy: -5.166 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: 10, replica: 9 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -28.263323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.263323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.263323 (E_RNA) where: Base-Base interactions energy: -7.255 where: short stacking energy: -7.255 Base-Backbone interact. energy: -0.338 local terms energy: -20.669615 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -6.358 flat angles P-C4'-P energy: -4.256 tors. eta vs tors. theta energy: 1.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -36.651301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.651301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.651301 (E_RNA) where: Base-Base interactions energy: -11.522 where: short stacking energy: -11.522 Base-Backbone interact. energy: -0.026 local terms energy: -25.103396 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.133 flat angles P-C4'-P energy: -2.288 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: 2, replica: 5 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -41.619391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.619391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.619391 (E_RNA) where: Base-Base interactions energy: -13.533 where: short stacking energy: -13.533 Base-Backbone interact. energy: -0.001 local terms energy: -28.085293 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.493 flat angles P-C4'-P energy: -4.643 tors. eta vs tors. theta energy: -3.213 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: 1 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -36.887616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.887616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.887616 (E_RNA) where: Base-Base interactions energy: -9.341 where: short stacking energy: -9.341 Base-Backbone interact. energy: -0.004 local terms energy: -27.542717 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.326 flat angles C4'-P-C4' energy: -6.191 flat angles P-C4'-P energy: -4.469 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: 4, replica: 2 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -36.720287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.720287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.720287 (E_RNA) where: Base-Base interactions energy: -11.874 where: short stacking energy: -11.874 Base-Backbone interact. energy: -0.077 local terms energy: -24.768921 where: bonds (distance) C4'-P energy: -4.444 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -4.928 flat angles P-C4'-P energy: -4.323 tors. eta vs tors. theta energy: -3.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -34.383602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.383602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.383602 (E_RNA) where: Base-Base interactions energy: -8.093 where: short stacking energy: -8.093 Base-Backbone interact. energy: -0.468 local terms energy: -25.822009 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.893 flat angles P-C4'-P energy: -2.283 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: 10 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -33.266500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.266500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.266500 (E_RNA) where: Base-Base interactions energy: -10.489 where: short stacking energy: -10.489 Base-Backbone interact. energy: -0.029 local terms energy: -22.749106 where: bonds (distance) C4'-P energy: -4.067 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.615 flat angles P-C4'-P energy: -4.648 tors. eta vs tors. theta energy: -2.639 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: 7, replica: 4 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -30.164066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.164066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.164066 (E_RNA) where: Base-Base interactions energy: -10.024 where: short stacking energy: -10.024 Base-Backbone interact. energy: -0.111 local terms energy: -20.029347 where: bonds (distance) C4'-P energy: -5.558 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -5.493 flat angles P-C4'-P energy: -2.397 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: 8, replica: 3 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -28.328518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.328518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.328518 (E_RNA) where: Base-Base interactions energy: -2.710 where: short stacking energy: -2.710 Base-Backbone interact. energy: -0.402 local terms energy: -25.216425 where: bonds (distance) C4'-P energy: -5.085 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.792 flat angles P-C4'-P energy: -5.143 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: 9, replica: 9 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -32.276671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.276671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.276671 (E_RNA) where: Base-Base interactions energy: -7.111 where: short stacking energy: -7.111 Base-Backbone interact. energy: -0.000 local terms energy: -25.165467 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -5.155 flat angles C4'-P-C4' energy: -5.698 flat angles P-C4'-P energy: -3.569 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: 10, replica: 6 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -27.151653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.151653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.151653 (E_RNA) where: Base-Base interactions energy: -6.280 where: short stacking energy: -6.280 Base-Backbone interact. energy: -0.142 local terms energy: -20.729802 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -3.898 flat angles P-C4'-P energy: -3.211 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: 8 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -37.702448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.702448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.702448 (E_RNA) where: Base-Base interactions energy: -8.277 where: short stacking energy: -8.277 Base-Backbone interact. energy: -0.043 local terms energy: -29.381876 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.775 flat angles P-C4'-P energy: -4.673 tors. eta vs tors. theta energy: -5.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -34.246356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.246356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.246356 (E_RNA) where: Base-Base interactions energy: -11.249 where: short stacking energy: -11.249 Base-Backbone interact. energy: 0.093 local terms energy: -23.089941 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -4.753 flat angles C4'-P-C4' energy: -5.961 flat angles P-C4'-P energy: -3.203 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: 3, replica: 1 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -36.591209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.591209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.591209 (E_RNA) where: Base-Base interactions energy: -11.691 where: short stacking energy: -11.691 Base-Backbone interact. energy: -0.153 local terms energy: -24.746926 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.872 flat angles P-C4'-P energy: -5.837 tors. eta vs tors. theta energy: 0.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -39.203070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.203070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.203070 (E_RNA) where: Base-Base interactions energy: -12.006 where: short stacking energy: -12.006 Base-Backbone interact. energy: -0.000 local terms energy: -27.196492 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.517 flat angles P-C4'-P energy: -3.579 tors. eta vs tors. theta energy: -3.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -34.100907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.100907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.100907 (E_RNA) where: Base-Base interactions energy: -11.308 where: short stacking energy: -11.308 Base-Backbone interact. energy: -0.275 local terms energy: -22.518282 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.884 flat angles P-C4'-P energy: -3.835 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: 6, replica: 4 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -37.229230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.229230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.229230 (E_RNA) where: Base-Base interactions energy: -8.381 where: short stacking energy: -8.381 Base-Backbone interact. energy: -0.099 local terms energy: -28.748462 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.554 flat angles P-C4'-P energy: -5.201 tors. eta vs tors. theta energy: -5.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -27.587779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.587779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.587779 (E_RNA) where: Base-Base interactions energy: -4.678 where: short stacking energy: -4.678 Base-Backbone interact. energy: -0.162 local terms energy: -22.748172 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -6.127 flat angles P-C4'-P energy: -5.149 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: 8, replica: 9 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -33.262279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.262279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.262279 (E_RNA) where: Base-Base interactions energy: -8.074 where: short stacking energy: -8.074 Base-Backbone interact. energy: -0.014 local terms energy: -25.173847 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -5.603 flat angles C4'-P-C4' energy: -6.583 flat angles P-C4'-P energy: -4.795 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: 9, replica: 3 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -28.920201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.920201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.920201 (E_RNA) where: Base-Base interactions energy: -5.224 where: short stacking energy: -5.224 Base-Backbone interact. energy: -0.023 local terms energy: -23.673290 where: bonds (distance) C4'-P energy: -5.727 bonds (distance) P-C4' energy: -7.253 flat angles C4'-P-C4' energy: -4.965 flat angles P-C4'-P energy: -5.951 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: 10, replica: 6 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -29.275760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.275760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.275760 (E_RNA) where: Base-Base interactions energy: -6.942 where: short stacking energy: -6.942 Base-Backbone interact. energy: -0.104 local terms energy: -22.229782 where: bonds (distance) C4'-P energy: -5.036 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -5.398 flat angles P-C4'-P energy: -4.183 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: 1, replica: 5 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -41.034675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.034675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.034675 (E_RNA) where: Base-Base interactions energy: -13.702 where: short stacking energy: -12.379 Base-Backbone interact. energy: -0.001 local terms energy: -27.331541 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.781 flat angles P-C4'-P energy: -3.175 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: 2, replica: 8 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -38.642680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.642680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.642680 (E_RNA) where: Base-Base interactions energy: -13.726 where: short stacking energy: -13.726 Base-Backbone interact. energy: -0.035 local terms energy: -24.881588 where: bonds (distance) C4'-P energy: -2.664 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -7.205 flat angles P-C4'-P energy: -5.698 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: 7 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -35.970493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.970493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.970493 (E_RNA) where: Base-Base interactions energy: -9.763 where: short stacking energy: -9.763 Base-Backbone interact. energy: 0.481 local terms energy: -26.688402 where: bonds (distance) C4'-P energy: -6.291 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -4.915 flat angles P-C4'-P energy: -3.394 tors. eta vs tors. theta energy: -4.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -35.664956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.664956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.664956 (E_RNA) where: Base-Base interactions energy: -13.608 where: short stacking energy: -10.635 Base-Backbone interact. energy: -0.029 local terms energy: -22.027770 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -3.398 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: 5, replica: 2 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -33.244159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.244159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.244159 (E_RNA) where: Base-Base interactions energy: -6.839 where: short stacking energy: -6.839 Base-Backbone interact. energy: -0.002 local terms energy: -26.403787 where: bonds (distance) C4'-P energy: -4.234 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -7.213 flat angles P-C4'-P energy: -4.095 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: 6, replica: 4 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -32.056294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.056294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.056294 (E_RNA) where: Base-Base interactions energy: -6.569 where: short stacking energy: -6.569 Base-Backbone interact. energy: -0.006 local terms energy: -25.481364 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.030 flat angles P-C4'-P energy: -4.454 tors. eta vs tors. theta energy: -1.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -37.833235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.833235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.833235 (E_RNA) where: Base-Base interactions energy: -10.460 where: short stacking energy: -10.460 Base-Backbone interact. energy: -0.022 local terms energy: -27.351308 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -6.986 flat angles P-C4'-P energy: -5.609 tors. eta vs tors. theta energy: -2.250 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: 10 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -25.607663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.607663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.607663 (E_RNA) where: Base-Base interactions energy: -4.783 where: short stacking energy: -4.783 Base-Backbone interact. energy: -0.157 local terms energy: -20.667910 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.519 flat angles P-C4'-P energy: -0.226 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: 9, replica: 6 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -29.070492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.070492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.070492 (E_RNA) where: Base-Base interactions energy: -8.036 where: short stacking energy: -8.036 Base-Backbone interact. energy: -0.034 local terms energy: -21.000175 where: bonds (distance) C4'-P energy: -3.062 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -4.676 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: 10, replica: 3 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -30.629997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.629997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.629997 (E_RNA) where: Base-Base interactions energy: -10.003 where: short stacking energy: -10.003 Base-Backbone interact. energy: -0.001 local terms energy: -20.626221 where: bonds (distance) C4'-P energy: -5.078 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -3.157 flat angles P-C4'-P energy: -4.584 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: 1, replica: 5 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -37.183056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.183056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.183056 (E_RNA) where: Base-Base interactions energy: -13.701 where: short stacking energy: -13.701 Base-Backbone interact. energy: -0.000 local terms energy: -23.481536 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -6.264 flat angles P-C4'-P energy: -4.256 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: 2, replica: 7 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -40.296860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.296860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.296860 (E_RNA) where: Base-Base interactions energy: -12.499 where: short stacking energy: -12.499 Base-Backbone interact. energy: -0.001 local terms energy: -27.796789 where: bonds (distance) C4'-P energy: -7.334 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -7.208 flat angles P-C4'-P energy: -4.832 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: 3, replica: 8 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -39.067806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.067806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.067806 (E_RNA) where: Base-Base interactions energy: -11.924 where: short stacking energy: -11.924 Base-Backbone interact. energy: -0.028 local terms energy: -27.116141 where: bonds (distance) C4'-P energy: -6.845 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.606 flat angles P-C4'-P energy: -5.557 tors. eta vs tors. theta energy: -0.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -36.475900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.475900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.475900 (E_RNA) where: Base-Base interactions energy: -12.256 where: short stacking energy: -10.778 Base-Backbone interact. energy: -0.000 local terms energy: -24.219709 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -5.238 flat angles P-C4'-P energy: -3.607 tors. eta vs tors. theta energy: -2.023 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: 1 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -32.715717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.715717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.715717 (E_RNA) where: Base-Base interactions energy: -11.220 where: short stacking energy: -11.220 Base-Backbone interact. energy: -0.000 local terms energy: -21.495480 where: bonds (distance) C4'-P energy: -5.186 bonds (distance) P-C4' energy: -6.072 flat angles C4'-P-C4' energy: -3.834 flat angles P-C4'-P energy: -4.461 tors. eta vs tors. theta energy: -1.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -32.970558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.970558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.970558 (E_RNA) where: Base-Base interactions energy: -6.744 where: short stacking energy: -6.744 Base-Backbone interact. energy: -0.001 local terms energy: -26.225642 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -5.151 tors. eta vs tors. theta energy: -1.510 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: 4 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -29.854717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.854717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.854717 (E_RNA) where: Base-Base interactions energy: -8.826 where: short stacking energy: -7.003 Base-Backbone interact. energy: -0.098 local terms energy: -20.930150 where: bonds (distance) C4'-P energy: -3.852 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -4.389 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: 6 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -27.981025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.981025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.981025 (E_RNA) where: Base-Base interactions energy: -4.929 where: short stacking energy: -4.929 Base-Backbone interact. energy: -0.000 local terms energy: -23.051684 where: bonds (distance) C4'-P energy: -4.147 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.011 flat angles P-C4'-P energy: -3.227 tors. eta vs tors. theta energy: -2.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -27.703758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.703758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.703758 (E_RNA) where: Base-Base interactions energy: -3.262 where: short stacking energy: -3.262 Base-Backbone interact. energy: -0.027 local terms energy: -24.414778 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -7.006 flat angles P-C4'-P energy: -5.152 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: 10, replica: 3 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -30.595364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.595364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.595364 (E_RNA) where: Base-Base interactions energy: -6.041 where: short stacking energy: -6.041 Base-Backbone interact. energy: 0.258 local terms energy: -24.812854 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.166 flat angles P-C4'-P energy: -3.882 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: 1, replica: 7 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -39.291926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.291926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.291926 (E_RNA) where: Base-Base interactions energy: -15.544 where: short stacking energy: -15.544 Base-Backbone interact. energy: -0.100 local terms energy: -23.648251 where: bonds (distance) C4'-P energy: -3.944 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -6.115 flat angles P-C4'-P energy: -4.940 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: 2, replica: 5 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -36.453715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.453715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.453715 (E_RNA) where: Base-Base interactions energy: -11.049 where: short stacking energy: -11.049 Base-Backbone interact. energy: -0.007 local terms energy: -25.397702 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -6.372 flat angles P-C4'-P energy: -4.154 tors. eta vs tors. theta energy: -1.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -39.350493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.350493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.350493 (E_RNA) where: Base-Base interactions energy: -12.878 where: short stacking energy: -12.878 Base-Backbone interact. energy: -0.907 local terms energy: -25.564894 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.477 flat angles C4'-P-C4' energy: -5.037 flat angles P-C4'-P energy: -5.141 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: 4, replica: 8 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -33.617674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.617674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.617674 (E_RNA) where: Base-Base interactions energy: -7.215 where: short stacking energy: -7.215 Base-Backbone interact. energy: -0.006 local terms energy: -26.396026 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -6.497 flat angles P-C4'-P energy: -5.818 tors. eta vs tors. theta energy: -0.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -34.195259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.195259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.195259 (E_RNA) where: Base-Base interactions energy: -11.800 where: short stacking energy: -7.923 Base-Backbone interact. energy: -0.196 local terms energy: -22.198626 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -5.427 flat angles P-C4'-P energy: -4.813 tors. eta vs tors. theta energy: 0.181 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: 1 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -30.962836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.962836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.962836 (E_RNA) where: Base-Base interactions energy: -8.458 where: short stacking energy: -8.458 Base-Backbone interact. energy: -0.163 local terms energy: -22.341238 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -6.085 flat angles P-C4'-P energy: -5.683 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: 7, replica: 6 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -33.238392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.238392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.238392 (E_RNA) where: Base-Base interactions energy: -8.767 where: short stacking energy: -8.767 Base-Backbone interact. energy: -0.048 local terms energy: -24.423731 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.823 flat angles P-C4'-P energy: -4.421 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: 8, replica: 4 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -36.796514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.796514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.796514 (E_RNA) where: Base-Base interactions energy: -8.175 where: short stacking energy: -8.175 Base-Backbone interact. energy: -0.000 local terms energy: -28.621675 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -7.087 flat angles P-C4'-P energy: -2.970 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: 9, replica: 3 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -31.456901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.456901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.456901 (E_RNA) where: Base-Base interactions energy: -6.390 where: short stacking energy: -6.390 Base-Backbone interact. energy: -0.144 local terms energy: -24.922717 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -4.773 flat angles P-C4'-P energy: -4.360 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: 176 Temperature: 1.350000 Total energy: -25.180297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.180297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.180297 (E_RNA) where: Base-Base interactions energy: -5.787 where: short stacking energy: -5.787 Base-Backbone interact. energy: -0.046 local terms energy: -19.347331 where: bonds (distance) C4'-P energy: -5.480 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -0.418 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: 1, replica: 7 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -37.883433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.883433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.883433 (E_RNA) where: Base-Base interactions energy: -11.393 where: short stacking energy: -11.393 Base-Backbone interact. energy: -0.004 local terms energy: -26.486508 where: bonds (distance) C4'-P energy: -4.990 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.979 flat angles P-C4'-P energy: -4.472 tors. eta vs tors. theta energy: -2.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -36.455460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.455460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.455460 (E_RNA) where: Base-Base interactions energy: -11.733 where: short stacking energy: -11.933 Base-Backbone interact. energy: -0.096 local terms energy: -24.627245 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.552 flat angles P-C4'-P energy: -2.081 tors. eta vs tors. theta energy: -2.044 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: 5 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -33.794547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.794547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.794547 (E_RNA) where: Base-Base interactions energy: -9.685 where: short stacking energy: -9.685 Base-Backbone interact. energy: -0.079 local terms energy: -24.030964 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -3.733 flat angles P-C4'-P energy: -5.282 tors. eta vs tors. theta energy: -2.326 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: 177 Temperature: 1.050000 Total energy: -38.406309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.406309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.406309 (E_RNA) where: Base-Base interactions energy: -10.283 where: short stacking energy: -10.283 Base-Backbone interact. energy: -0.071 local terms energy: -28.051804 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -7.205 flat angles P-C4'-P energy: -5.433 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: 8 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -31.707003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.707003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.707003 (E_RNA) where: Base-Base interactions energy: -9.967 where: short stacking energy: -9.967 Base-Backbone interact. energy: -0.006 local terms energy: -21.734123 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -4.663 flat angles P-C4'-P energy: -3.022 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: 6, replica: 6 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -31.377607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.377607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.377607 (E_RNA) where: Base-Base interactions energy: -7.756 where: short stacking energy: -7.756 Base-Backbone interact. energy: -0.886 local terms energy: -22.735465 where: bonds (distance) C4'-P energy: -5.008 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.858 flat angles P-C4'-P energy: -4.248 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: 177 Temperature: 1.200000 Total energy: -30.145559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.145559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.145559 (E_RNA) where: Base-Base interactions energy: -8.299 where: short stacking energy: -8.299 Base-Backbone interact. energy: 0.365 local terms energy: -22.211584 where: bonds (distance) C4'-P energy: -5.951 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.320 flat angles P-C4'-P energy: -4.646 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: 8, replica: 3 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -34.861112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.861112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.861112 (E_RNA) where: Base-Base interactions energy: -10.312 where: short stacking energy: -10.312 Base-Backbone interact. energy: -0.022 local terms energy: -24.527795 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.515 flat angles P-C4'-P energy: -1.891 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: 9, replica: 4 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -27.783371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.783371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.783371 (E_RNA) where: Base-Base interactions energy: -6.174 where: short stacking energy: -6.174 Base-Backbone interact. energy: -0.052 local terms energy: -21.557536 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.356 flat angles P-C4'-P energy: -2.308 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: 10, replica: 10 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -29.141097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.141097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.141097 (E_RNA) where: Base-Base interactions energy: -7.561 where: short stacking energy: -7.998 Base-Backbone interact. energy: -1.183 local terms energy: -20.397096 where: bonds (distance) C4'-P energy: -6.953 bonds (distance) P-C4' energy: -5.078 flat angles C4'-P-C4' energy: -5.926 flat angles P-C4'-P energy: -2.701 tors. eta vs tors. theta energy: 0.262 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: 178 Temperature: 0.900000 Total energy: -40.717650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.717650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.717650 (E_RNA) where: Base-Base interactions energy: -10.343 where: short stacking energy: -10.343 Base-Backbone interact. energy: -1.445 local terms energy: -28.929585 where: bonds (distance) C4'-P energy: -5.596 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.739 flat angles P-C4'-P energy: -4.849 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: 2, replica: 7 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -35.739232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.739232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.739232 (E_RNA) where: Base-Base interactions energy: -11.253 where: short stacking energy: -11.253 Base-Backbone interact. energy: -0.004 local terms energy: -24.482327 where: bonds (distance) C4'-P energy: -4.589 bonds (distance) P-C4' energy: -6.505 flat angles C4'-P-C4' energy: -6.125 flat angles P-C4'-P energy: -3.046 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: 3, replica: 5 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -43.963279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.963279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.963279 (E_RNA) where: Base-Base interactions energy: -15.224 where: short stacking energy: -15.224 Base-Backbone interact. energy: -0.000 local terms energy: -28.738978 where: bonds (distance) C4'-P energy: -6.072 bonds (distance) P-C4' energy: -5.784 flat angles C4'-P-C4' energy: -6.988 flat angles P-C4'-P energy: -5.376 tors. eta vs tors. theta energy: -4.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -36.526435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.526435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.526435 (E_RNA) where: Base-Base interactions energy: -13.499 where: short stacking energy: -13.499 Base-Backbone interact. energy: -0.149 local terms energy: -22.878131 where: bonds (distance) C4'-P energy: -4.697 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -6.310 flat angles P-C4'-P energy: -2.565 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: 5, replica: 6 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -31.781492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.781492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.781492 (E_RNA) where: Base-Base interactions energy: -7.575 where: short stacking energy: -5.868 Base-Backbone interact. energy: -0.405 local terms energy: -23.800751 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -4.809 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: 6, replica: 8 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -32.669971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.669971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.669971 (E_RNA) where: Base-Base interactions energy: -11.370 where: short stacking energy: -11.370 Base-Backbone interact. energy: -0.001 local terms energy: -21.298882 where: bonds (distance) C4'-P energy: -4.410 bonds (distance) P-C4' energy: -6.003 flat angles C4'-P-C4' energy: -6.970 flat angles P-C4'-P energy: -4.093 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: 7, replica: 3 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -30.927569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.927569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.927569 (E_RNA) where: Base-Base interactions energy: -8.137 where: short stacking energy: -8.137 Base-Backbone interact. energy: -0.140 local terms energy: -22.650347 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -5.296 flat angles P-C4'-P energy: -3.624 tors. eta vs tors. theta energy: -1.668 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: 1 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -28.976964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.976964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.976964 (E_RNA) where: Base-Base interactions energy: -8.278 where: short stacking energy: -8.278 Base-Backbone interact. energy: -0.000 local terms energy: -20.698348 where: bonds (distance) C4'-P energy: -5.143 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -3.483 flat angles P-C4'-P energy: -4.593 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: 10 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -29.550911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.550911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.550911 (E_RNA) where: Base-Base interactions energy: -8.332 where: short stacking energy: -8.332 Base-Backbone interact. energy: -0.042 local terms energy: -21.176032 where: bonds (distance) C4'-P energy: -5.078 bonds (distance) P-C4' energy: -6.010 flat angles C4'-P-C4' energy: -4.866 flat angles P-C4'-P energy: -4.316 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: 10, replica: 4 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -28.545743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.545743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.545743 (E_RNA) where: Base-Base interactions energy: -3.563 where: short stacking energy: -3.563 Base-Backbone interact. energy: -0.058 local terms energy: -24.924498 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.710 flat angles P-C4'-P energy: -2.745 tors. eta vs tors. theta energy: -1.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -33.038500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.038500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.038500 (E_RNA) where: Base-Base interactions energy: -8.139 where: short stacking energy: -8.139 Base-Backbone interact. energy: -0.005 local terms energy: -24.893602 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.580 flat angles P-C4'-P energy: -4.941 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: 2, replica: 7 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -40.897388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.897388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.897388 (E_RNA) where: Base-Base interactions energy: -11.062 where: short stacking energy: -11.062 Base-Backbone interact. energy: -0.070 local terms energy: -29.764628 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -5.352 flat angles P-C4'-P energy: -5.600 tors. eta vs tors. theta energy: -4.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -38.791366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.791366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.791366 (E_RNA) where: Base-Base interactions energy: -9.952 where: short stacking energy: -9.952 Base-Backbone interact. energy: -0.098 local terms energy: -28.741427 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -4.030 tors. eta vs tors. theta energy: -5.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -42.808775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.808775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.808775 (E_RNA) where: Base-Base interactions energy: -11.971 where: short stacking energy: -11.971 Base-Backbone interact. energy: -0.000 local terms energy: -30.837587 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.654 flat angles P-C4'-P energy: -5.341 tors. eta vs tors. theta energy: -5.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -35.889585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.889585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.889585 (E_RNA) where: Base-Base interactions energy: -11.615 where: short stacking energy: -11.615 Base-Backbone interact. energy: -0.022 local terms energy: -24.252684 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.792 flat angles P-C4'-P energy: -4.807 tors. eta vs tors. theta energy: -2.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 179 Temperature: 1.150000 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: -8.863 where: short stacking energy: -8.863 Base-Backbone interact. energy: -0.093 local terms energy: -23.967537 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.355 flat angles P-C4'-P energy: -4.334 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: 7, replica: 8 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -35.605245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.605245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.605245 (E_RNA) where: Base-Base interactions energy: -7.558 where: short stacking energy: -7.558 Base-Backbone interact. energy: -0.000 local terms energy: -28.046585 where: bonds (distance) C4'-P energy: -5.847 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -6.571 flat angles P-C4'-P energy: -3.233 tors. eta vs tors. theta energy: -4.885 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: 8, replica: 1 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -33.598950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.598950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.598950 (E_RNA) where: Base-Base interactions energy: -8.665 where: short stacking energy: -8.072 Base-Backbone interact. energy: -0.000 local terms energy: -24.934209 where: bonds (distance) C4'-P energy: -5.326 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.477 flat angles P-C4'-P energy: -4.094 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: 9, replica: 10 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -28.251770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.251770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.251770 (E_RNA) where: Base-Base interactions energy: -2.726 where: short stacking energy: -2.726 Base-Backbone interact. energy: -0.877 local terms energy: -24.648102 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.832 flat angles C4'-P-C4' energy: -5.579 flat angles P-C4'-P energy: -5.209 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: 10, replica: 4 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -29.508535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.508535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.508535 (E_RNA) where: Base-Base interactions energy: -9.746 where: short stacking energy: -9.746 Base-Backbone interact. energy: -0.020 local terms energy: -19.742576 where: bonds (distance) C4'-P energy: -4.560 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.004 flat angles P-C4'-P energy: 0.499 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: 1, replica: 7 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -38.744653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.744653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.744653 (E_RNA) where: Base-Base interactions energy: -11.246 where: short stacking energy: -11.246 Base-Backbone interact. energy: -0.012 local terms energy: -27.486762 where: bonds (distance) C4'-P energy: -4.598 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.759 flat angles P-C4'-P energy: -5.856 tors. eta vs tors. theta energy: -3.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -35.356747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.356747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.356747 (E_RNA) where: Base-Base interactions energy: -10.744 where: short stacking energy: -10.744 Base-Backbone interact. energy: -0.011 local terms energy: -24.601957 where: bonds (distance) C4'-P energy: -5.095 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.873 flat angles P-C4'-P energy: -5.223 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: 3, replica: 6 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -33.577423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.577423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.577423 (E_RNA) where: Base-Base interactions energy: -7.833 where: short stacking energy: -7.833 Base-Backbone interact. energy: -0.099 local terms energy: -25.645351 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -6.948 flat angles P-C4'-P energy: -5.767 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: 4, replica: 5 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -32.738145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.738145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.738145 (E_RNA) where: Base-Base interactions energy: -9.354 where: short stacking energy: -9.354 Base-Backbone interact. energy: -0.000 local terms energy: -23.383499 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -5.439 flat angles P-C4'-P energy: -1.405 tors. eta vs tors. theta energy: -3.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -33.279289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.279289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.279289 (E_RNA) where: Base-Base interactions energy: -9.918 where: short stacking energy: -9.918 Base-Backbone interact. energy: -0.096 local terms energy: -23.265823 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -3.976 flat angles P-C4'-P energy: -4.108 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: 6, replica: 9 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -30.680043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.680043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.680043 (E_RNA) where: Base-Base interactions energy: -11.684 where: short stacking energy: -11.684 Base-Backbone interact. energy: -0.015 local terms energy: -18.980802 where: bonds (distance) C4'-P energy: -5.380 bonds (distance) P-C4' energy: -6.048 flat angles C4'-P-C4' energy: -5.093 flat angles P-C4'-P energy: -1.940 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: 7, replica: 1 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -31.922269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.922269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.922269 (E_RNA) where: Base-Base interactions energy: -9.659 where: short stacking energy: -9.659 Base-Backbone interact. energy: -0.000 local terms energy: -22.262463 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -6.572 flat angles P-C4'-P energy: -2.319 tors. eta vs tors. theta energy: -1.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -31.426789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.426789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.426789 (E_RNA) where: Base-Base interactions energy: -7.782 where: short stacking energy: -7.782 Base-Backbone interact. energy: -0.020 local terms energy: -23.624148 where: bonds (distance) C4'-P energy: -4.751 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.765 flat angles P-C4'-P energy: -4.366 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: 9, replica: 4 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -31.040208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.040208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.040208 (E_RNA) where: Base-Base interactions energy: -7.412 where: short stacking energy: -7.412 Base-Backbone interact. energy: -0.011 local terms energy: -23.617254 where: bonds (distance) C4'-P energy: -5.173 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -6.220 flat angles P-C4'-P energy: -4.871 tors. eta vs tors. theta energy: -0.101 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: 10, replica: 10 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -31.914715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.914715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.914715 (E_RNA) where: Base-Base interactions energy: -9.081 where: short stacking energy: -9.081 Base-Backbone interact. energy: -0.025 local terms energy: -22.808575 where: bonds (distance) C4'-P energy: -4.606 bonds (distance) P-C4' energy: -6.566 flat angles C4'-P-C4' energy: -7.004 flat angles P-C4'-P energy: -1.612 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: 1, replica: 7 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -38.778340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.778340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.778340 (E_RNA) where: Base-Base interactions energy: -14.479 where: short stacking energy: -14.479 Base-Backbone interact. energy: -0.001 local terms energy: -24.298080 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -2.927 flat angles P-C4'-P energy: -2.879 tors. eta vs tors. theta energy: -4.454 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: 6 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -35.068062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.068062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.068062 (E_RNA) where: Base-Base interactions energy: -11.447 where: short stacking energy: -11.447 Base-Backbone interact. energy: -0.083 local terms energy: -23.537852 where: bonds (distance) C4'-P energy: -5.426 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: -3.131 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: 3, replica: 2 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -33.838907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.838907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.838907 (E_RNA) where: Base-Base interactions energy: -12.102 where: short stacking energy: -12.102 Base-Backbone interact. energy: -0.001 local terms energy: -21.735814 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -6.853 flat angles P-C4'-P energy: 0.465 tors. eta vs tors. theta energy: -3.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -34.242956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.242956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.242956 (E_RNA) where: Base-Base interactions energy: -11.289 where: short stacking energy: -11.289 Base-Backbone interact. energy: -0.000 local terms energy: -22.954014 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -5.337 flat angles P-C4'-P energy: -4.044 tors. eta vs tors. theta energy: -0.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -29.684092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.684092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.684092 (E_RNA) where: Base-Base interactions energy: -3.178 where: short stacking energy: -3.178 Base-Backbone interact. energy: -0.134 local terms energy: -26.371273 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.649 flat angles P-C4'-P energy: -6.081 tors. eta vs tors. theta energy: -1.216 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: 1 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -41.795581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.795581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.795581 (E_RNA) where: Base-Base interactions energy: -11.229 where: short stacking energy: -11.229 Base-Backbone interact. energy: -0.000 local terms energy: -30.566632 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -4.269 tors. eta vs tors. theta energy: -5.698 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: 9 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -30.605341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.605341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.605341 (E_RNA) where: Base-Base interactions energy: -7.330 where: short stacking energy: -7.330 Base-Backbone interact. energy: -0.001 local terms energy: -23.275206 where: bonds (distance) C4'-P energy: -4.866 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -5.534 flat angles P-C4'-P energy: -5.232 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: 8, replica: 4 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -34.560597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.560597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.560597 (E_RNA) where: Base-Base interactions energy: -8.996 where: short stacking energy: -8.996 Base-Backbone interact. energy: -0.031 local terms energy: -25.533206 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.409 flat angles P-C4'-P energy: -2.708 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: 9, replica: 8 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -33.450054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.450054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.450054 (E_RNA) where: Base-Base interactions energy: -10.239 where: short stacking energy: -10.239 Base-Backbone interact. energy: -0.000 local terms energy: -23.210248 where: bonds (distance) C4'-P energy: -4.130 bonds (distance) P-C4' energy: -6.032 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -4.621 tors. eta vs tors. theta energy: -2.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -29.173607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.173607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.173607 (E_RNA) where: Base-Base interactions energy: -7.132 where: short stacking energy: -7.132 Base-Backbone interact. energy: -0.004 local terms energy: -22.038266 where: bonds (distance) C4'-P energy: -2.884 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.590 flat angles P-C4'-P energy: -3.116 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: 1, replica: 7 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -39.345347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.345347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.345347 (E_RNA) where: Base-Base interactions energy: -11.597 where: short stacking energy: -11.597 Base-Backbone interact. energy: -0.001 local terms energy: -27.747213 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -7.080 flat angles P-C4'-P energy: -4.697 tors. eta vs tors. theta energy: -1.578 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: 182 Temperature: 0.950000 Total energy: -37.134865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.134865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.134865 (E_RNA) where: Base-Base interactions energy: -13.247 where: short stacking energy: -13.247 Base-Backbone interact. energy: -0.001 local terms energy: -23.886944 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.022 flat angles P-C4'-P energy: -4.396 tors. eta vs tors. theta energy: -1.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -40.769480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.769480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.769480 (E_RNA) where: Base-Base interactions energy: -15.953 where: short stacking energy: -15.953 Base-Backbone interact. energy: -0.000 local terms energy: -24.816508 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.121 flat angles C4'-P-C4' energy: -4.743 flat angles P-C4'-P energy: -3.568 tors. eta vs tors. theta energy: -4.593 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: 2 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -37.262535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.262535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.262535 (E_RNA) where: Base-Base interactions energy: -12.787 where: short stacking energy: -12.787 Base-Backbone interact. energy: -0.016 local terms energy: -24.459379 where: bonds (distance) C4'-P energy: -5.603 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -4.705 flat angles P-C4'-P energy: -5.801 tors. eta vs tors. theta energy: -1.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -32.871209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.871209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.871209 (E_RNA) where: Base-Base interactions energy: -6.558 where: short stacking energy: -6.558 Base-Backbone interact. energy: -0.099 local terms energy: -26.214274 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -6.337 flat angles P-C4'-P energy: -5.341 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: 5 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -31.147292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.147292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.147292 (E_RNA) where: Base-Base interactions energy: -8.891 where: short stacking energy: -8.891 Base-Backbone interact. energy: -0.001 local terms energy: -22.255411 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -4.445 flat angles C4'-P-C4' energy: -5.814 flat angles P-C4'-P energy: -5.230 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: 7, replica: 4 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -29.903402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.903402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.903402 (E_RNA) where: Base-Base interactions energy: -5.620 where: short stacking energy: -5.620 Base-Backbone interact. energy: -0.049 local terms energy: -24.234106 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.312 flat angles P-C4'-P energy: -5.185 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: 8, replica: 9 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -28.567994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.567994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.567994 (E_RNA) where: Base-Base interactions energy: -4.845 where: short stacking energy: -5.345 Base-Backbone interact. energy: -0.035 local terms energy: -23.687558 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -6.544 flat angles C4'-P-C4' energy: -7.383 flat angles P-C4'-P energy: -5.846 tors. eta vs tors. theta energy: 0.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -32.158272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.158272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.158272 (E_RNA) where: Base-Base interactions energy: -7.256 where: short stacking energy: -6.398 Base-Backbone interact. energy: -0.063 local terms energy: -24.839304 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -6.135 flat angles P-C4'-P energy: -4.615 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: 10, replica: 8 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -29.802897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.802897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.802897 (E_RNA) where: Base-Base interactions energy: -5.053 where: short stacking energy: -5.053 Base-Backbone interact. energy: -0.093 local terms energy: -24.656908 where: bonds (distance) C4'-P energy: -2.850 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.580 flat angles P-C4'-P energy: -6.128 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: 1, replica: 7 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -38.466759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.466759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.466759 (E_RNA) where: Base-Base interactions energy: -10.830 where: short stacking energy: -10.830 Base-Backbone interact. energy: -0.105 local terms energy: -27.532172 where: bonds (distance) C4'-P energy: -6.141 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.472 flat angles P-C4'-P energy: -5.275 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: 2, replica: 3 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -40.469620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.469620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.469620 (E_RNA) where: Base-Base interactions energy: -13.614 where: short stacking energy: -13.614 Base-Backbone interact. energy: -0.180 local terms energy: -26.675294 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.285 flat angles P-C4'-P energy: -3.418 tors. eta vs tors. theta energy: -3.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -33.030306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.030306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.030306 (E_RNA) where: Base-Base interactions energy: -10.713 where: short stacking energy: -10.713 Base-Backbone interact. energy: -0.411 local terms energy: -21.905573 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.330 flat angles C4'-P-C4' energy: -4.630 flat angles P-C4'-P energy: -4.066 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: 4, replica: 1 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -33.902901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.902901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.902901 (E_RNA) where: Base-Base interactions energy: -10.773 where: short stacking energy: -10.773 Base-Backbone interact. energy: -0.019 local terms energy: -23.110169 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -7.328 flat angles P-C4'-P energy: -4.683 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: 5, replica: 2 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -35.343297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.343297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.343297 (E_RNA) where: Base-Base interactions energy: -7.552 where: short stacking energy: -7.877 Base-Backbone interact. energy: -0.000 local terms energy: -27.791703 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -5.869 flat angles P-C4'-P energy: -3.684 tors. eta vs tors. theta energy: -4.728 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: 4 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -32.830673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.830673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.830673 (E_RNA) where: Base-Base interactions energy: -8.079 where: short stacking energy: -8.079 Base-Backbone interact. energy: -0.002 local terms energy: -24.749507 where: bonds (distance) C4'-P energy: -2.440 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.048 flat angles P-C4'-P energy: -5.369 tors. eta vs tors. theta energy: -4.400 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: 5 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -33.542101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.542101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.542101 (E_RNA) where: Base-Base interactions energy: -6.390 where: short stacking energy: -6.390 Base-Backbone interact. energy: -0.061 local terms energy: -27.090325 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.663 flat angles P-C4'-P energy: -5.567 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: 8, replica: 10 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -32.185620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.185620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.185620 (E_RNA) where: Base-Base interactions energy: -7.599 where: short stacking energy: -7.599 Base-Backbone interact. energy: -0.001 local terms energy: -24.585994 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -5.945 flat angles C4'-P-C4' energy: -6.233 flat angles P-C4'-P energy: -3.967 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: 183 Temperature: 1.300000 Total energy: -29.779479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.779479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.779479 (E_RNA) where: Base-Base interactions energy: -5.293 where: short stacking energy: -5.293 Base-Backbone interact. energy: -0.000 local terms energy: -24.486233 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -4.916 flat angles P-C4'-P energy: -1.968 tors. eta vs tors. theta energy: -3.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -29.173966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.173966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.173966 (E_RNA) where: Base-Base interactions energy: -6.402 where: short stacking energy: -6.402 Base-Backbone interact. energy: -0.123 local terms energy: -22.648955 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.178 flat angles P-C4'-P energy: -0.064 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: 184 Temperature: 0.900000 Total energy: -40.550156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.550156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.550156 (E_RNA) where: Base-Base interactions energy: -15.484 where: short stacking energy: -15.484 Base-Backbone interact. energy: -0.000 local terms energy: -25.066371 where: bonds (distance) C4'-P energy: -5.727 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -5.966 flat angles P-C4'-P energy: -4.104 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: 2, replica: 7 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -37.666876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.666876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.666876 (E_RNA) where: Base-Base interactions energy: -12.155 where: short stacking energy: -12.155 Base-Backbone interact. energy: -0.002 local terms energy: -25.509099 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.016 flat angles P-C4'-P energy: -4.793 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: 3, replica: 1 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -34.101629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.101629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.101629 (E_RNA) where: Base-Base interactions energy: -9.419 where: short stacking energy: -9.419 Base-Backbone interact. energy: -0.097 local terms energy: -24.586111 where: bonds (distance) C4'-P energy: -6.213 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.413 flat angles P-C4'-P energy: -2.601 tors. eta vs tors. theta energy: -1.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -35.013888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.013888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.013888 (E_RNA) where: Base-Base interactions energy: -6.417 where: short stacking energy: -6.417 Base-Backbone interact. energy: -0.002 local terms energy: -28.595266 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.808 flat angles P-C4'-P energy: -5.435 tors. eta vs tors. theta energy: -2.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -37.823376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.823376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.823376 (E_RNA) where: Base-Base interactions energy: -11.850 where: short stacking energy: -11.850 Base-Backbone interact. energy: -0.034 local terms energy: -25.939349 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.814 flat angles C4'-P-C4' energy: -4.658 flat angles P-C4'-P energy: -4.374 tors. eta vs tors. theta energy: -3.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -35.568950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.568950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.568950 (E_RNA) where: Base-Base interactions energy: -10.539 where: short stacking energy: -10.539 Base-Backbone interact. energy: -0.039 local terms energy: -24.991050 where: bonds (distance) C4'-P energy: -4.560 bonds (distance) P-C4' energy: -5.309 flat angles C4'-P-C4' energy: -5.428 flat angles P-C4'-P energy: -3.735 tors. eta vs tors. theta energy: -5.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -31.771434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.771434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.771434 (E_RNA) where: Base-Base interactions energy: -6.776 where: short stacking energy: -6.776 Base-Backbone interact. energy: -0.000 local terms energy: -24.995246 where: bonds (distance) C4'-P energy: -6.816 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -4.895 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: 8, replica: 5 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -31.800105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.800105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.800105 (E_RNA) where: Base-Base interactions energy: -8.761 where: short stacking energy: -8.761 Base-Backbone interact. energy: -0.000 local terms energy: -23.038768 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -3.252 flat angles P-C4'-P energy: -3.939 tors. eta vs tors. theta energy: -1.503 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: 184 Temperature: 1.300000 Total energy: -28.797257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.797257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.797257 (E_RNA) where: Base-Base interactions energy: -7.359 where: short stacking energy: -7.359 Base-Backbone interact. energy: -0.001 local terms energy: -21.436860 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -4.365 flat angles C4'-P-C4' energy: -6.951 flat angles P-C4'-P energy: -4.130 tors. eta vs tors. theta energy: 0.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -32.161523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.161523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.161523 (E_RNA) where: Base-Base interactions energy: -6.578 where: short stacking energy: -6.578 Base-Backbone interact. energy: -0.002 local terms energy: -25.581278 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: -2.839 tors. eta vs tors. theta energy: -2.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -45.120430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.120430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.120430 (E_RNA) where: Base-Base interactions energy: -14.628 where: short stacking energy: -14.628 Base-Backbone interact. energy: -0.051 local terms energy: -30.441679 where: bonds (distance) C4'-P energy: -5.513 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.515 flat angles P-C4'-P energy: -5.275 tors. eta vs tors. theta energy: -6.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -39.535585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.535585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.535585 (E_RNA) where: Base-Base interactions energy: -12.256 where: short stacking energy: -12.256 Base-Backbone interact. energy: -0.127 local terms energy: -27.152530 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.363 flat angles P-C4'-P energy: -4.160 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: 3, replica: 1 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -42.998440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.998440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.998440 (E_RNA) where: Base-Base interactions energy: -14.211 where: short stacking energy: -14.211 Base-Backbone interact. energy: -0.080 local terms energy: -28.707139 where: bonds (distance) C4'-P energy: -4.730 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.268 flat angles P-C4'-P energy: -6.073 tors. eta vs tors. theta energy: -4.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -42.688036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.688036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.688036 (E_RNA) where: Base-Base interactions energy: -14.179 where: short stacking energy: -14.179 Base-Backbone interact. energy: -0.001 local terms energy: -28.508381 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.036 flat angles P-C4'-P energy: -5.007 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: 5, replica: 6 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -34.292625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.292625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.292625 (E_RNA) where: Base-Base interactions energy: -9.112 where: short stacking energy: -9.112 Base-Backbone interact. energy: -0.002 local terms energy: -25.179037 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.914 flat angles P-C4'-P energy: -4.457 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: 6, replica: 10 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -33.860776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.860776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.860776 (E_RNA) where: Base-Base interactions energy: -10.407 where: short stacking energy: -10.407 Base-Backbone interact. energy: -0.099 local terms energy: -23.355152 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.604 flat angles P-C4'-P energy: -3.078 tors. eta vs tors. theta energy: 0.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -31.636083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.636083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.636083 (E_RNA) where: Base-Base interactions energy: -9.374 where: short stacking energy: -9.374 Base-Backbone interact. energy: -0.000 local terms energy: -22.262100 where: bonds (distance) C4'-P energy: -5.525 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.208 flat angles P-C4'-P energy: -1.967 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: 8, replica: 8 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -30.133672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.133672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.133672 (E_RNA) where: Base-Base interactions energy: -5.109 where: short stacking energy: -5.109 Base-Backbone interact. energy: -0.015 local terms energy: -25.009952 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.949 flat angles P-C4'-P energy: -5.331 tors. eta vs tors. theta energy: -1.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -26.888784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.888784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.888784 (E_RNA) where: Base-Base interactions energy: -6.407 where: short stacking energy: -6.407 Base-Backbone interact. energy: -0.075 local terms energy: -20.407047 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -4.609 flat angles C4'-P-C4' energy: -3.564 flat angles P-C4'-P energy: -5.630 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: 10, replica: 9 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -28.077352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.077352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.077352 (E_RNA) where: Base-Base interactions energy: -6.323 where: short stacking energy: -6.323 Base-Backbone interact. energy: -0.013 local terms energy: -21.741537 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.946 flat angles P-C4'-P energy: -1.786 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: 1, replica: 7 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -36.349463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.349463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.349463 (E_RNA) where: Base-Base interactions energy: -8.973 where: short stacking energy: -8.973 Base-Backbone interact. energy: -0.000 local terms energy: -27.376368 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.282 flat angles P-C4'-P energy: -2.833 tors. eta vs tors. theta energy: -3.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -39.303641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.303641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.303641 (E_RNA) where: Base-Base interactions energy: -12.897 where: short stacking energy: -12.897 Base-Backbone interact. energy: -0.000 local terms energy: -26.406388 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.806 flat angles P-C4'-P energy: -3.550 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: 3, replica: 4 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -41.615924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.615924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.615924 (E_RNA) where: Base-Base interactions energy: -13.617 where: short stacking energy: -13.617 Base-Backbone interact. energy: -0.000 local terms energy: -27.999300 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -6.638 flat angles P-C4'-P energy: -4.970 tors. eta vs tors. theta energy: -4.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -33.713271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.713271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.713271 (E_RNA) where: Base-Base interactions energy: -10.653 where: short stacking energy: -9.620 Base-Backbone interact. energy: -0.004 local terms energy: -23.057176 where: bonds (distance) C4'-P energy: -4.134 bonds (distance) P-C4' energy: -5.994 flat angles C4'-P-C4' energy: -6.579 flat angles P-C4'-P energy: -5.194 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: 5, replica: 10 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -32.428949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.428949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.428949 (E_RNA) where: Base-Base interactions energy: -6.377 where: short stacking energy: -6.377 Base-Backbone interact. energy: -0.124 local terms energy: -25.928031 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.191 flat angles P-C4'-P energy: -4.159 tors. eta vs tors. theta energy: -2.410 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: 6, replica: 6 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -32.048786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.048786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.048786 (E_RNA) where: Base-Base interactions energy: -12.458 where: short stacking energy: -12.458 Base-Backbone interact. energy: -0.014 local terms energy: -19.577433 where: bonds (distance) C4'-P energy: -4.660 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.035 flat angles P-C4'-P energy: -2.328 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: 8 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -28.341365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.341365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.341365 (E_RNA) where: Base-Base interactions energy: -8.713 where: short stacking energy: -7.497 Base-Backbone interact. energy: -0.007 local terms energy: -19.621144 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -3.807 flat angles P-C4'-P energy: -3.400 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: 8, replica: 2 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -29.048640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.048640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.048640 (E_RNA) where: Base-Base interactions energy: -3.479 where: short stacking energy: -3.552 Base-Backbone interact. energy: -0.158 local terms energy: -25.411823 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.428 flat angles P-C4'-P energy: -4.464 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: 9 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -27.579186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.579186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.579186 (E_RNA) where: Base-Base interactions energy: -4.610 where: short stacking energy: -4.610 Base-Backbone interact. energy: -0.028 local terms energy: -22.941376 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -3.345 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: 5 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -27.910239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.910239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.910239 (E_RNA) where: Base-Base interactions energy: -8.200 where: short stacking energy: -8.200 Base-Backbone interact. energy: -0.008 local terms energy: -19.702136 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -3.305 flat angles P-C4'-P energy: -0.612 tors. eta vs tors. theta energy: -0.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -33.302870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.302870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.302870 (E_RNA) where: Base-Base interactions energy: -7.938 where: short stacking energy: -4.760 Base-Backbone interact. energy: -0.069 local terms energy: -25.295355 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -7.554 flat angles P-C4'-P energy: -4.580 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: 2, replica: 4 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -44.484545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.484545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.484545 (E_RNA) where: Base-Base interactions energy: -15.123 where: short stacking energy: -15.123 Base-Backbone interact. energy: -0.000 local terms energy: -29.361414 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -6.614 flat angles P-C4'-P energy: -4.777 tors. eta vs tors. theta energy: -4.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -36.164052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.164052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.164052 (E_RNA) where: Base-Base interactions energy: -10.982 where: short stacking energy: -10.982 Base-Backbone interact. energy: -0.115 local terms energy: -25.066993 where: bonds (distance) C4'-P energy: -5.479 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -5.280 flat angles P-C4'-P energy: -5.321 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: 4, replica: 10 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -34.264721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.264721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.264721 (E_RNA) where: Base-Base interactions energy: -12.598 where: short stacking energy: -12.598 Base-Backbone interact. energy: -0.086 local terms energy: -21.580508 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -5.116 flat angles P-C4'-P energy: -5.631 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: 5, replica: 1 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -30.110519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.110519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.110519 (E_RNA) where: Base-Base interactions energy: -9.638 where: short stacking energy: -9.638 Base-Backbone interact. energy: -0.067 local terms energy: -20.405147 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -2.678 flat angles P-C4'-P energy: -2.637 tors. eta vs tors. theta energy: -3.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -34.883679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.883679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.883679 (E_RNA) where: Base-Base interactions energy: -11.404 where: short stacking energy: -11.404 Base-Backbone interact. energy: -0.111 local terms energy: -23.368367 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -4.860 flat angles P-C4'-P energy: -4.245 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: 7, replica: 6 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -30.467327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.467327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.467327 (E_RNA) where: Base-Base interactions energy: -9.335 where: short stacking energy: -9.335 Base-Backbone interact. energy: -0.129 local terms energy: -21.003471 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.603 flat angles P-C4'-P energy: -2.177 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: 9 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -32.074082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.074082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.074082 (E_RNA) where: Base-Base interactions energy: -9.939 where: short stacking energy: -9.939 Base-Backbone interact. energy: -0.034 local terms energy: -22.100769 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -7.179 flat angles P-C4'-P energy: -1.144 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: 9, replica: 2 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -29.419150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.419150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.419150 (E_RNA) where: Base-Base interactions energy: -4.990 where: short stacking energy: -4.990 Base-Backbone interact. energy: -0.340 local terms energy: -24.088824 where: bonds (distance) C4'-P energy: -4.846 bonds (distance) P-C4' energy: -6.526 flat angles C4'-P-C4' energy: -5.727 flat angles P-C4'-P energy: -3.552 tors. eta vs tors. theta energy: -3.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -29.529607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.529607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.529607 (E_RNA) where: Base-Base interactions energy: -8.247 where: short stacking energy: -8.247 Base-Backbone interact. energy: -0.002 local terms energy: -21.279828 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -2.651 flat angles C4'-P-C4' energy: -6.253 flat angles P-C4'-P energy: -3.072 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: 1, replica: 4 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -39.393590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.393590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.393590 (E_RNA) where: Base-Base interactions energy: -10.812 where: short stacking energy: -10.812 Base-Backbone interact. energy: -0.000 local terms energy: -28.581436 where: bonds (distance) C4'-P energy: -4.403 bonds (distance) P-C4' energy: -7.520 flat angles C4'-P-C4' energy: -6.588 flat angles P-C4'-P energy: -4.767 tors. eta vs tors. theta energy: -5.304 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: 7 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -42.132545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.132545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.132545 (E_RNA) where: Base-Base interactions energy: -14.910 where: short stacking energy: -14.910 Base-Backbone interact. energy: -0.000 local terms energy: -27.222669 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -6.826 flat angles P-C4'-P energy: -2.376 tors. eta vs tors. theta energy: -4.684 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: 10 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -39.272411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.272411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.272411 (E_RNA) where: Base-Base interactions energy: -10.655 where: short stacking energy: -8.291 Base-Backbone interact. energy: -1.996 local terms energy: -26.621270 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.505 flat angles P-C4'-P energy: -4.931 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: 4, replica: 3 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -31.215690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.215690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.215690 (E_RNA) where: Base-Base interactions energy: -5.861 where: short stacking energy: -5.861 Base-Backbone interact. energy: -0.000 local terms energy: -25.354783 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -6.178 flat angles P-C4'-P energy: -3.903 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: 5, replica: 1 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -35.676971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.676971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.676971 (E_RNA) where: Base-Base interactions energy: -7.131 where: short stacking energy: -7.131 Base-Backbone interact. energy: -0.078 local terms energy: -28.467958 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.042 flat angles P-C4'-P energy: -3.666 tors. eta vs tors. theta energy: -4.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -33.713899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.713899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.713899 (E_RNA) where: Base-Base interactions energy: -9.107 where: short stacking energy: -9.107 Base-Backbone interact. energy: -0.000 local terms energy: -24.606650 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -7.198 flat angles P-C4'-P energy: -3.618 tors. eta vs tors. theta energy: -2.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -30.985051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.985051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.985051 (E_RNA) where: Base-Base interactions energy: -8.282 where: short stacking energy: -8.130 Base-Backbone interact. energy: -0.635 local terms energy: -22.067913 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -4.138 flat angles P-C4'-P energy: -4.564 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: 8, replica: 6 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -27.889008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.889008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.889008 (E_RNA) where: Base-Base interactions energy: -5.817 where: short stacking energy: -5.817 Base-Backbone interact. energy: -0.003 local terms energy: -22.069632 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -2.705 flat angles C4'-P-C4' energy: -5.498 flat angles P-C4'-P energy: -3.100 tors. eta vs tors. theta energy: -4.384 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: 9, replica: 5 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -30.028961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.028961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.028961 (E_RNA) where: Base-Base interactions energy: -5.298 where: short stacking energy: -5.298 Base-Backbone interact. energy: -0.070 local terms energy: -24.661175 where: bonds (distance) C4'-P energy: -6.531 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -6.106 flat angles P-C4'-P energy: -4.529 tors. eta vs tors. theta energy: -0.874 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: 10, replica: 2 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -29.564452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.564452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.564452 (E_RNA) where: Base-Base interactions energy: -9.432 where: short stacking energy: -9.432 Base-Backbone interact. energy: -0.045 local terms energy: -20.087733 where: bonds (distance) C4'-P energy: -4.908 bonds (distance) P-C4' energy: -5.765 flat angles C4'-P-C4' energy: -5.005 flat angles P-C4'-P energy: -2.391 tors. eta vs tors. theta energy: -2.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -41.449062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.449062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.449062 (E_RNA) where: Base-Base interactions energy: -12.569 where: short stacking energy: -12.569 Base-Backbone interact. energy: -0.000 local terms energy: -28.880111 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: -3.489 tors. eta vs tors. theta energy: -7.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -37.840326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.840326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.840326 (E_RNA) where: Base-Base interactions energy: -9.804 where: short stacking energy: -9.804 Base-Backbone interact. energy: -0.096 local terms energy: -27.940102 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.383 flat angles P-C4'-P energy: -5.691 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: 3, replica: 7 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -37.028887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.028887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.028887 (E_RNA) where: Base-Base interactions energy: -10.195 where: short stacking energy: -10.195 Base-Backbone interact. energy: -0.005 local terms energy: -26.828874 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -7.367 flat angles P-C4'-P energy: -4.474 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: 4, replica: 1 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -32.751265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.751265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.751265 (E_RNA) where: Base-Base interactions energy: -7.903 where: short stacking energy: -7.903 Base-Backbone interact. energy: -0.018 local terms energy: -24.830546 where: bonds (distance) C4'-P energy: -5.152 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -5.924 flat angles P-C4'-P energy: -5.261 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: 5, replica: 3 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -38.080025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.080025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.080025 (E_RNA) where: Base-Base interactions energy: -11.345 where: short stacking energy: -11.345 Base-Backbone interact. energy: -0.003 local terms energy: -26.732796 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.833 flat angles P-C4'-P energy: -3.817 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: 6, replica: 9 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -35.702760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.702760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.702760 (E_RNA) where: Base-Base interactions energy: -12.023 where: short stacking energy: -12.023 Base-Backbone interact. energy: -0.190 local terms energy: -23.488906 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.099 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -3.389 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: 7, replica: 8 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -29.924657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.924657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.924657 (E_RNA) where: Base-Base interactions energy: -9.072 where: short stacking energy: -9.072 Base-Backbone interact. energy: -0.121 local terms energy: -20.731331 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -3.418 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: 8, replica: 6 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -34.049848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.049848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.049848 (E_RNA) where: Base-Base interactions energy: -8.451 where: short stacking energy: -8.451 Base-Backbone interact. energy: -0.014 local terms energy: -25.584907 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.094 flat angles P-C4'-P energy: -3.077 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: 189 Temperature: 1.300000 Total energy: -28.800464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.800464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.800464 (E_RNA) where: Base-Base interactions energy: -6.520 where: short stacking energy: -6.520 Base-Backbone interact. energy: -0.002 local terms energy: -22.278410 where: bonds (distance) C4'-P energy: -4.945 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -6.803 flat angles P-C4'-P energy: -4.351 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: 10, replica: 2 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -28.899901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.899901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.899901 (E_RNA) where: Base-Base interactions energy: -8.589 where: short stacking energy: -8.589 Base-Backbone interact. energy: -0.001 local terms energy: -20.310544 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -3.916 flat angles P-C4'-P energy: -4.160 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: 1, replica: 10 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -42.181517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.181517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.181517 (E_RNA) where: Base-Base interactions energy: -15.855 where: short stacking energy: -15.855 Base-Backbone interact. energy: -0.000 local terms energy: -26.326111 where: bonds (distance) C4'-P energy: -5.335 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.448 flat angles P-C4'-P energy: -3.884 tors. eta vs tors. theta energy: -4.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -33.739664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.739664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.739664 (E_RNA) where: Base-Base interactions energy: -9.281 where: short stacking energy: -9.281 Base-Backbone interact. energy: -0.096 local terms energy: -24.362321 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -4.535 flat angles P-C4'-P energy: -4.286 tors. eta vs tors. theta energy: -1.796 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: 190 Temperature: 1.000000 Total energy: -41.375976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.375976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.375976 (E_RNA) where: Base-Base interactions energy: -13.112 where: short stacking energy: -13.112 Base-Backbone interact. energy: -0.017 local terms energy: -28.246718 where: bonds (distance) C4'-P energy: -4.259 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -7.170 flat angles P-C4'-P energy: -4.997 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: 4, replica: 7 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -32.867458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.867458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.867458 (E_RNA) where: Base-Base interactions energy: -4.935 where: short stacking energy: -4.935 Base-Backbone interact. energy: -0.000 local terms energy: -27.932083 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.064 flat angles P-C4'-P energy: -4.619 tors. eta vs tors. theta energy: -1.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -37.646408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.646408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.646408 (E_RNA) where: Base-Base interactions energy: -15.171 where: short stacking energy: -15.171 Base-Backbone interact. energy: -0.001 local terms energy: -22.474189 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -4.400 flat angles P-C4'-P energy: -2.643 tors. eta vs tors. theta energy: -4.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -32.206516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.206516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.206516 (E_RNA) where: Base-Base interactions energy: -6.499 where: short stacking energy: -6.499 Base-Backbone interact. energy: -0.005 local terms energy: -25.701986 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.200 flat angles P-C4'-P energy: -5.384 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: 7, replica: 6 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -35.401645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.401645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.401645 (E_RNA) where: Base-Base interactions energy: -11.201 where: short stacking energy: -11.201 Base-Backbone interact. energy: -0.003 local terms energy: -24.197807 where: bonds (distance) C4'-P energy: -6.816 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.874 flat angles P-C4'-P energy: -3.399 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: 8, replica: 8 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -29.223958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.223958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.223958 (E_RNA) where: Base-Base interactions energy: -7.618 where: short stacking energy: -7.618 Base-Backbone interact. energy: -0.056 local terms energy: -21.550593 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.989 flat angles P-C4'-P energy: -1.706 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: 9, replica: 2 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -27.780801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.780801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.780801 (E_RNA) where: Base-Base interactions energy: -2.401 where: short stacking energy: -2.401 Base-Backbone interact. energy: -0.000 local terms energy: -25.379934 where: bonds (distance) C4'-P energy: -6.188 bonds (distance) P-C4' energy: -7.010 flat angles C4'-P-C4' energy: -4.747 flat angles P-C4'-P energy: -4.525 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: 10, replica: 5 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -26.400111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.400111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.400111 (E_RNA) where: Base-Base interactions energy: -9.134 where: short stacking energy: -4.940 Base-Backbone interact. energy: -0.189 local terms energy: -17.076879 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -6.294 flat angles P-C4'-P energy: -1.526 tors. eta vs tors. theta energy: 2.903 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: 10 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -40.564416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.564416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.564416 (E_RNA) where: Base-Base interactions energy: -15.042 where: short stacking energy: -15.042 Base-Backbone interact. energy: -0.104 local terms energy: -25.418385 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -5.768 flat angles C4'-P-C4' energy: -7.006 flat angles P-C4'-P energy: -3.772 tors. eta vs tors. theta energy: -2.747 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: 191 Temperature: 0.950000 Total energy: -36.988175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.988175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.988175 (E_RNA) where: Base-Base interactions energy: -11.837 where: short stacking energy: -11.837 Base-Backbone interact. energy: -0.000 local terms energy: -25.151400 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -3.352 flat angles P-C4'-P energy: -4.030 tors. eta vs tors. theta energy: -4.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -33.755781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.755781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.755781 (E_RNA) where: Base-Base interactions energy: -11.660 where: short stacking energy: -11.660 Base-Backbone interact. energy: 0.271 local terms energy: -22.366469 where: bonds (distance) C4'-P energy: -5.981 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -4.083 flat angles P-C4'-P energy: -3.819 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: 4, replica: 9 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -34.168975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.168975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.168975 (E_RNA) where: Base-Base interactions energy: -9.333 where: short stacking energy: -9.333 Base-Backbone interact. energy: -0.009 local terms energy: -24.827566 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -4.870 flat angles P-C4'-P energy: -5.695 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: 5, replica: 7 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -34.004960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.004960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.004960 (E_RNA) where: Base-Base interactions energy: -4.715 where: short stacking energy: -4.715 Base-Backbone interact. energy: -0.035 local terms energy: -29.254721 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.153 flat angles P-C4'-P energy: -5.873 tors. eta vs tors. theta energy: -3.752 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: 191 Temperature: 1.150000 Total energy: -31.970990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.970990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.970990 (E_RNA) where: Base-Base interactions energy: -7.456 where: short stacking energy: -7.456 Base-Backbone interact. energy: -0.002 local terms energy: -24.512789 where: bonds (distance) C4'-P energy: -3.642 bonds (distance) P-C4' energy: -7.010 flat angles C4'-P-C4' energy: -7.261 flat angles P-C4'-P energy: -6.005 tors. eta vs tors. theta energy: -0.595 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: 3 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -28.982864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.982864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.982864 (E_RNA) where: Base-Base interactions energy: -4.038 where: short stacking energy: -4.038 Base-Backbone interact. energy: -0.000 local terms energy: -24.944673 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.199 flat angles P-C4'-P energy: -5.022 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: 8, replica: 2 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -35.721274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.721274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.721274 (E_RNA) where: Base-Base interactions energy: -11.606 where: short stacking energy: -11.606 Base-Backbone interact. energy: -0.003 local terms energy: -24.112359 where: bonds (distance) C4'-P energy: -5.752 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.056 flat angles P-C4'-P energy: -1.621 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: 9, replica: 8 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -31.717966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.717966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.717966 (E_RNA) where: Base-Base interactions energy: -5.613 where: short stacking energy: -5.613 Base-Backbone interact. energy: -0.003 local terms energy: -26.101978 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.138 flat angles P-C4'-P energy: -4.707 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: 5 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -35.266523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.266523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.266523 (E_RNA) where: Base-Base interactions energy: -11.628 where: short stacking energy: -11.628 Base-Backbone interact. energy: -0.002 local terms energy: -23.636145 where: bonds (distance) C4'-P energy: -4.118 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.592 flat angles P-C4'-P energy: -4.423 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: 1, replica: 1 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -37.866244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.866244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.866244 (E_RNA) where: Base-Base interactions energy: -11.392 where: short stacking energy: -11.392 Base-Backbone interact. energy: -0.127 local terms energy: -26.346700 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -5.019 tors. eta vs tors. theta energy: -0.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -33.803640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.803640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.803640 (E_RNA) where: Base-Base interactions energy: -6.373 where: short stacking energy: -6.373 Base-Backbone interact. energy: -0.079 local terms energy: -27.351400 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -7.485 flat angles P-C4'-P energy: -5.105 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: 3, replica: 9 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -41.419288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.419288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.419288 (E_RNA) where: Base-Base interactions energy: -13.185 where: short stacking energy: -13.185 Base-Backbone interact. energy: -0.023 local terms energy: -28.211575 where: bonds (distance) C4'-P energy: -5.835 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -7.132 flat angles P-C4'-P energy: -3.777 tors. eta vs tors. theta energy: -3.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -33.356708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.356708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.356708 (E_RNA) where: Base-Base interactions energy: -11.403 where: short stacking energy: -11.403 Base-Backbone interact. energy: -0.088 local terms energy: -21.865638 where: bonds (distance) C4'-P energy: -6.580 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -4.819 flat angles P-C4'-P energy: -0.235 tors. eta vs tors. theta energy: -3.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -34.863187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.863187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.863187 (E_RNA) where: Base-Base interactions energy: -10.790 where: short stacking energy: -10.790 Base-Backbone interact. energy: -0.000 local terms energy: -24.072424 where: bonds (distance) C4'-P energy: -5.603 bonds (distance) P-C4' energy: -4.564 flat angles C4'-P-C4' energy: -6.139 flat angles P-C4'-P energy: -5.234 tors. eta vs tors. theta energy: -2.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -31.049073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.049073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.049073 (E_RNA) where: Base-Base interactions energy: -12.892 where: short stacking energy: -8.342 Base-Backbone interact. energy: -0.093 local terms energy: -18.064016 where: bonds (distance) C4'-P energy: -4.821 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -3.386 flat angles P-C4'-P energy: -2.336 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: 7, replica: 2 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -32.797234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.797234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.797234 (E_RNA) where: Base-Base interactions energy: -10.611 where: short stacking energy: -10.811 Base-Backbone interact. energy: -0.000 local terms energy: -22.185956 where: bonds (distance) C4'-P energy: -4.279 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -3.310 flat angles P-C4'-P energy: -4.805 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: 8, replica: 3 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -29.754335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.754335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.754335 (E_RNA) where: Base-Base interactions energy: -8.236 where: short stacking energy: -8.236 Base-Backbone interact. energy: -0.034 local terms energy: -21.484473 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -3.873 tors. eta vs tors. theta energy: -0.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -32.033419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.033419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.033419 (E_RNA) where: Base-Base interactions energy: -8.781 where: short stacking energy: -8.781 Base-Backbone interact. energy: -0.001 local terms energy: -23.252176 where: bonds (distance) C4'-P energy: -5.326 bonds (distance) P-C4' energy: -6.474 flat angles C4'-P-C4' energy: -4.281 flat angles P-C4'-P energy: -5.711 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: 10, replica: 5 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -31.846343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.846343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.846343 (E_RNA) where: Base-Base interactions energy: -7.072 where: short stacking energy: -7.072 Base-Backbone interact. energy: -0.000 local terms energy: -24.773621 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -5.565 flat angles P-C4'-P energy: -5.220 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: 1, replica: 1 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -43.641441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.641441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.641441 (E_RNA) where: Base-Base interactions energy: -14.208 where: short stacking energy: -14.208 Base-Backbone interact. energy: -0.004 local terms energy: -29.428928 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.572 flat angles P-C4'-P energy: -4.421 tors. eta vs tors. theta energy: -3.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -32.972653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.972653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.972653 (E_RNA) where: Base-Base interactions energy: -9.088 where: short stacking energy: -9.088 Base-Backbone interact. energy: -0.149 local terms energy: -23.735867 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.085 flat angles P-C4'-P energy: -3.284 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: 3, replica: 10 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -35.262866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.262866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.262866 (E_RNA) where: Base-Base interactions energy: -10.978 where: short stacking energy: -10.978 Base-Backbone interact. energy: -0.050 local terms energy: -24.234352 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.616 flat angles P-C4'-P energy: -3.770 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: 4, replica: 6 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -37.841113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.841113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.841113 (E_RNA) where: Base-Base interactions energy: -13.502 where: short stacking energy: -10.804 Base-Backbone interact. energy: -0.077 local terms energy: -24.262379 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.827 flat angles P-C4'-P energy: -3.922 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: 5, replica: 4 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -34.188190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.188190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.188190 (E_RNA) where: Base-Base interactions energy: -8.057 where: short stacking energy: -8.057 Base-Backbone interact. energy: -0.015 local terms energy: -26.116085 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -6.072 flat angles C4'-P-C4' energy: -6.947 flat angles P-C4'-P energy: -4.752 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: 7 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -36.864553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.864553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.864553 (E_RNA) where: Base-Base interactions energy: -14.599 where: short stacking energy: -14.599 Base-Backbone interact. energy: -0.037 local terms energy: -22.228377 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -3.709 flat angles C4'-P-C4' energy: -6.357 flat angles P-C4'-P energy: -4.261 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: 7, replica: 2 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -32.584850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.584850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.584850 (E_RNA) where: Base-Base interactions energy: -8.943 where: short stacking energy: -7.657 Base-Backbone interact. energy: -0.149 local terms energy: -23.493638 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.555 flat angles P-C4'-P energy: -5.129 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: 8, replica: 8 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -26.976370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.976370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.976370 (E_RNA) where: Base-Base interactions energy: -1.156 where: short stacking energy: -1.156 Base-Backbone interact. energy: -0.009 local terms energy: -25.811439 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -6.165 flat angles P-C4'-P energy: -4.556 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: 9, replica: 3 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -29.627263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.627263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.627263 (E_RNA) where: Base-Base interactions energy: -8.460 where: short stacking energy: -8.460 Base-Backbone interact. energy: -0.398 local terms energy: -20.769014 where: bonds (distance) C4'-P energy: -5.387 bonds (distance) P-C4' energy: -6.777 flat angles C4'-P-C4' energy: -3.405 flat angles P-C4'-P energy: -5.476 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: 10, replica: 5 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -36.014805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.014805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.014805 (E_RNA) where: Base-Base interactions energy: -10.074 where: short stacking energy: -8.934 Base-Backbone interact. energy: -0.000 local terms energy: -25.940683 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.316 flat angles P-C4'-P energy: -1.737 tors. eta vs tors. theta energy: -4.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -43.477829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.477829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.477829 (E_RNA) where: Base-Base interactions energy: -17.301 where: short stacking energy: -16.372 Base-Backbone interact. energy: -0.007 local terms energy: -26.169717 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -7.246 flat angles C4'-P-C4' energy: -5.935 flat angles P-C4'-P energy: -4.412 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: 2, replica: 9 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -37.067142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.067142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.067142 (E_RNA) where: Base-Base interactions energy: -11.199 where: short stacking energy: -11.199 Base-Backbone interact. energy: -0.000 local terms energy: -25.868188 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.510 flat angles P-C4'-P energy: -2.976 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: 6 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -35.049439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.049439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.049439 (E_RNA) where: Base-Base interactions energy: -11.965 where: short stacking energy: -11.965 Base-Backbone interact. energy: -0.035 local terms energy: -23.048690 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.072 flat angles C4'-P-C4' energy: -5.865 flat angles P-C4'-P energy: -3.231 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: 4, replica: 10 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -34.529455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.529455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.529455 (E_RNA) where: Base-Base interactions energy: -9.812 where: short stacking energy: -9.812 Base-Backbone interact. energy: -0.000 local terms energy: -24.717400 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.692 flat angles P-C4'-P energy: -1.969 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: 5, replica: 4 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -35.339853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.339853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.339853 (E_RNA) where: Base-Base interactions energy: -6.815 where: short stacking energy: -6.815 Base-Backbone interact. energy: -0.002 local terms energy: -28.522515 where: bonds (distance) C4'-P energy: -5.351 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.761 flat angles P-C4'-P energy: -3.757 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: 6, replica: 7 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -29.715791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.715791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.715791 (E_RNA) where: Base-Base interactions energy: -7.780 where: short stacking energy: -7.780 Base-Backbone interact. energy: -0.022 local terms energy: -21.913603 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: -4.425 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: 7, replica: 8 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -32.677441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.677441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.677441 (E_RNA) where: Base-Base interactions energy: -13.701 where: short stacking energy: -13.701 Base-Backbone interact. energy: -0.001 local terms energy: -18.975946 where: bonds (distance) C4'-P energy: -4.680 bonds (distance) P-C4' energy: -5.971 flat angles C4'-P-C4' energy: -4.590 flat angles P-C4'-P energy: -3.287 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: 8, replica: 2 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -30.236215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.236215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.236215 (E_RNA) where: Base-Base interactions energy: -5.655 where: short stacking energy: -5.655 Base-Backbone interact. energy: -0.000 local terms energy: -24.581412 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.004 flat angles P-C4'-P energy: -3.218 tors. eta vs tors. theta energy: -2.428 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: 5 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -32.695923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.695923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.695923 (E_RNA) where: Base-Base interactions energy: -10.237 where: short stacking energy: -10.237 Base-Backbone interact. energy: -0.000 local terms energy: -22.458146 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -4.597 flat angles P-C4'-P energy: -2.871 tors. eta vs tors. theta energy: -3.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -29.747913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.747913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.747913 (E_RNA) where: Base-Base interactions energy: -6.700 where: short stacking energy: -6.700 Base-Backbone interact. energy: -0.040 local terms energy: -23.008179 where: bonds (distance) C4'-P energy: -5.227 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.884 flat angles P-C4'-P energy: -3.483 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: 1, replica: 1 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -41.067791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.067791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.067791 (E_RNA) where: Base-Base interactions energy: -15.487 where: short stacking energy: -15.487 Base-Backbone interact. energy: -0.008 local terms energy: -25.572551 where: bonds (distance) C4'-P energy: -5.387 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -7.347 flat angles P-C4'-P energy: -2.754 tors. eta vs tors. theta energy: -4.276 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: 6 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -35.462389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.462389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.462389 (E_RNA) where: Base-Base interactions energy: -10.060 where: short stacking energy: -10.060 Base-Backbone interact. energy: -0.003 local terms energy: -25.399641 where: bonds (distance) C4'-P energy: -5.077 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -5.897 flat angles P-C4'-P energy: -4.316 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: 3, replica: 9 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -39.091723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.091723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.091723 (E_RNA) where: Base-Base interactions energy: -10.667 where: short stacking energy: -10.667 Base-Backbone interact. energy: -0.039 local terms energy: -28.385295 where: bonds (distance) C4'-P energy: -6.150 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.179 flat angles P-C4'-P energy: -4.592 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: 4, replica: 4 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -31.389626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.389626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.389626 (E_RNA) where: Base-Base interactions energy: -8.945 where: short stacking energy: -7.994 Base-Backbone interact. energy: -0.968 local terms energy: -21.476556 where: bonds (distance) C4'-P energy: -4.217 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -4.053 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: 5, replica: 10 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -35.689414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.689414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.689414 (E_RNA) where: Base-Base interactions energy: -10.402 where: short stacking energy: -10.402 Base-Backbone interact. energy: -0.006 local terms energy: -25.281176 where: bonds (distance) C4'-P energy: -4.146 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -5.242 tors. eta vs tors. theta energy: -3.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -29.882174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.882174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.882174 (E_RNA) where: Base-Base interactions energy: -7.481 where: short stacking energy: -7.481 Base-Backbone interact. energy: -0.094 local terms energy: -22.307947 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.027 flat angles P-C4'-P energy: -1.813 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: 7, replica: 7 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -29.743058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.743058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.743058 (E_RNA) where: Base-Base interactions energy: -3.214 where: short stacking energy: -3.214 Base-Backbone interact. energy: -0.018 local terms energy: -26.510753 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -7.223 flat angles P-C4'-P energy: -5.750 tors. eta vs tors. theta energy: -0.562 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: 8, replica: 2 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -29.576675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.576675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.576675 (E_RNA) where: Base-Base interactions energy: -5.642 where: short stacking energy: -5.642 Base-Backbone interact. energy: -0.117 local terms energy: -23.817489 where: bonds (distance) C4'-P energy: -5.488 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.760 flat angles P-C4'-P energy: -4.809 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: 9, replica: 5 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -25.569914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.569914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.569914 (E_RNA) where: Base-Base interactions energy: -4.236 where: short stacking energy: -4.236 Base-Backbone interact. energy: -0.020 local terms energy: -21.314091 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.660 flat angles P-C4'-P energy: -5.428 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: 10, replica: 3 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -30.616234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.616234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.616234 (E_RNA) where: Base-Base interactions energy: -6.787 where: short stacking energy: -6.787 Base-Backbone interact. energy: -0.526 local terms energy: -23.302758 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.635 flat angles P-C4'-P energy: -1.997 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: 196 Temperature: 0.900000 Total energy: -39.315687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.315687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.315687 (E_RNA) where: Base-Base interactions energy: -11.999 where: short stacking energy: -11.999 Base-Backbone interact. energy: -0.170 local terms energy: -27.146371 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.367 flat angles P-C4'-P energy: -5.017 tors. eta vs tors. theta energy: -0.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -39.738641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.738641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.738641 (E_RNA) where: Base-Base interactions energy: -10.310 where: short stacking energy: -10.310 Base-Backbone interact. energy: -0.001 local terms energy: -29.427726 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -7.642 flat angles P-C4'-P energy: -4.250 tors. eta vs tors. theta energy: -4.162 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: 4 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -40.528370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.528370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.528370 (E_RNA) where: Base-Base interactions energy: -14.752 where: short stacking energy: -13.412 Base-Backbone interact. energy: -0.113 local terms energy: -25.662686 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -3.970 flat angles P-C4'-P energy: -3.587 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: 9 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -32.057498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.057498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.057498 (E_RNA) where: Base-Base interactions energy: -9.782 where: short stacking energy: -9.782 Base-Backbone interact. energy: -0.056 local terms energy: -22.218695 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -5.248 flat angles C4'-P-C4' energy: -7.207 flat angles P-C4'-P energy: -4.873 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: 5, replica: 8 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -35.565198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.565198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.565198 (E_RNA) where: Base-Base interactions energy: -8.413 where: short stacking energy: -7.897 Base-Backbone interact. energy: -0.028 local terms energy: -27.123986 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -7.577 flat angles P-C4'-P energy: -5.188 tors. eta vs tors. theta energy: -3.672 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: 10 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -30.966463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.966463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.966463 (E_RNA) where: Base-Base interactions energy: -3.920 where: short stacking energy: -4.305 Base-Backbone interact. energy: -0.006 local terms energy: -27.041162 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -6.680 flat angles P-C4'-P energy: -5.023 tors. eta vs tors. theta energy: -1.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -28.526658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.526658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.526658 (E_RNA) where: Base-Base interactions energy: -7.672 where: short stacking energy: -7.672 Base-Backbone interact. energy: -0.011 local terms energy: -20.843251 where: bonds (distance) C4'-P energy: -1.207 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -5.426 flat angles P-C4'-P energy: -5.844 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: 8, replica: 7 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -33.042973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.042973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.042973 (E_RNA) where: Base-Base interactions energy: -8.331 where: short stacking energy: -8.530 Base-Backbone interact. energy: -0.106 local terms energy: -24.605977 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.085 flat angles P-C4'-P energy: -3.811 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: 9, replica: 5 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -33.338663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.338663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.338663 (E_RNA) where: Base-Base interactions energy: -10.871 where: short stacking energy: -10.871 Base-Backbone interact. energy: -0.069 local terms energy: -22.398812 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.016 flat angles P-C4'-P energy: -3.503 tors. eta vs tors. theta energy: -0.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -27.430656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.430656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.430656 (E_RNA) where: Base-Base interactions energy: -5.034 where: short stacking energy: -5.034 Base-Backbone interact. energy: -0.019 local terms energy: -22.378098 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -7.323 flat angles P-C4'-P energy: -2.687 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: 6 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -35.900154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.900154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.900154 (E_RNA) where: Base-Base interactions energy: -12.513 where: short stacking energy: -11.920 Base-Backbone interact. energy: -0.043 local terms energy: -23.344281 where: bonds (distance) C4'-P energy: -5.695 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.172 flat angles P-C4'-P energy: -5.015 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: 2, replica: 4 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -39.001112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.001112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.001112 (E_RNA) where: Base-Base interactions energy: -10.260 where: short stacking energy: -10.260 Base-Backbone interact. energy: -0.000 local terms energy: -28.741352 where: bonds (distance) C4'-P energy: -5.889 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -4.692 tors. eta vs tors. theta energy: -6.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -34.566012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.566012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.566012 (E_RNA) where: Base-Base interactions energy: -12.964 where: short stacking energy: -8.696 Base-Backbone interact. energy: -0.001 local terms energy: -21.601079 where: bonds (distance) C4'-P energy: -4.076 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -3.805 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: 8 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -34.051373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.051373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.051373 (E_RNA) where: Base-Base interactions energy: -10.044 where: short stacking energy: -10.044 Base-Backbone interact. energy: -0.037 local terms energy: -23.970478 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -3.970 flat angles P-C4'-P energy: -3.346 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: 5, replica: 9 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -35.616707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.616707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.616707 (E_RNA) where: Base-Base interactions energy: -8.779 where: short stacking energy: -8.779 Base-Backbone interact. energy: -0.001 local terms energy: -26.837049 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.796 flat angles P-C4'-P energy: -3.074 tors. eta vs tors. theta energy: -3.159 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: 10 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -32.198547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.198547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.198547 (E_RNA) where: Base-Base interactions energy: -7.958 where: short stacking energy: -8.058 Base-Backbone interact. energy: -0.052 local terms energy: -24.189110 where: bonds (distance) C4'-P energy: -5.310 bonds (distance) P-C4' energy: -6.777 flat angles C4'-P-C4' energy: -6.993 flat angles P-C4'-P energy: -5.242 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: 7, replica: 2 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -33.285410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.285410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.285410 (E_RNA) where: Base-Base interactions energy: -5.035 where: short stacking energy: -5.035 Base-Backbone interact. energy: -0.000 local terms energy: -28.249966 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -7.002 flat angles P-C4'-P energy: -4.896 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: 8, replica: 5 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -30.315244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.315244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.315244 (E_RNA) where: Base-Base interactions energy: -5.370 where: short stacking energy: -5.370 Base-Backbone interact. energy: -0.104 local terms energy: -24.840446 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.731 flat angles C4'-P-C4' energy: -6.221 flat angles P-C4'-P energy: -4.803 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: 9, replica: 7 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -32.515071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.515071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.515071 (E_RNA) where: Base-Base interactions energy: -8.834 where: short stacking energy: -8.834 Base-Backbone interact. energy: -0.000 local terms energy: -23.680943 where: bonds (distance) C4'-P energy: -5.661 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -5.397 flat angles P-C4'-P energy: -3.457 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: 10, replica: 3 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -28.097826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.097826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.097826 (E_RNA) where: Base-Base interactions energy: -5.697 where: short stacking energy: -6.331 Base-Backbone interact. energy: -0.006 local terms energy: -22.395600 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -5.233 flat angles C4'-P-C4' energy: -5.619 flat angles P-C4'-P energy: -3.943 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: 1, replica: 4 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -43.526013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.526013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.526013 (E_RNA) where: Base-Base interactions energy: -14.498 where: short stacking energy: -14.498 Base-Backbone interact. energy: -0.000 local terms energy: -29.027907 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -7.131 flat angles P-C4'-P energy: -5.375 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: 2, replica: 6 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -42.361370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.361370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.361370 (E_RNA) where: Base-Base interactions energy: -15.710 where: short stacking energy: -15.710 Base-Backbone interact. energy: -0.000 local terms energy: -26.651696 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -5.339 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: 3, replica: 8 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -37.584287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.584287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.584287 (E_RNA) where: Base-Base interactions energy: -12.940 where: short stacking energy: -12.940 Base-Backbone interact. energy: -0.047 local terms energy: -24.597685 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -3.303 flat angles P-C4'-P energy: -3.895 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: 1 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -30.743274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.743274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.743274 (E_RNA) where: Base-Base interactions energy: -5.957 where: short stacking energy: -5.957 Base-Backbone interact. energy: -0.002 local terms energy: -24.785077 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -6.333 flat angles C4'-P-C4' energy: -6.716 flat angles P-C4'-P energy: -5.590 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: 5, replica: 9 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -38.063471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.063471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.063471 (E_RNA) where: Base-Base interactions energy: -11.199 where: short stacking energy: -11.199 Base-Backbone interact. energy: -0.000 local terms energy: -26.864075 where: bonds (distance) C4'-P energy: -5.735 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -6.757 flat angles P-C4'-P energy: -3.500 tors. eta vs tors. theta energy: -5.325 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: 10 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -32.985122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.985122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.985122 (E_RNA) where: Base-Base interactions energy: -5.416 where: short stacking energy: -5.416 Base-Backbone interact. energy: -0.003 local terms energy: -27.566502 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.741 flat angles P-C4'-P energy: -4.648 tors. eta vs tors. theta energy: -3.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -30.276035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.276035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.276035 (E_RNA) where: Base-Base interactions energy: -6.803 where: short stacking energy: -6.621 Base-Backbone interact. energy: -1.719 local terms energy: -21.753233 where: bonds (distance) C4'-P energy: -5.335 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.000 flat angles P-C4'-P energy: -2.728 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: 8, replica: 2 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -31.600500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.600500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.600500 (E_RNA) where: Base-Base interactions energy: -9.521 where: short stacking energy: -8.169 Base-Backbone interact. energy: -0.106 local terms energy: -21.973665 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.248 flat angles C4'-P-C4' energy: -5.898 flat angles P-C4'-P energy: -2.350 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: 3 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -27.384198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.384198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.384198 (E_RNA) where: Base-Base interactions energy: -3.260 where: short stacking energy: -3.260 Base-Backbone interact. energy: -0.099 local terms energy: -24.024931 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -7.452 flat angles P-C4'-P energy: -5.586 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: 10, replica: 7 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -27.435279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.435279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.435279 (E_RNA) where: Base-Base interactions energy: -9.031 where: short stacking energy: -9.031 Base-Backbone interact. energy: -0.000 local terms energy: -18.403836 where: bonds (distance) C4'-P energy: -6.523 bonds (distance) P-C4' energy: -5.058 flat angles C4'-P-C4' energy: -4.738 flat angles P-C4'-P energy: -2.755 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: 1, replica: 4 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -43.903475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.903475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.903475 (E_RNA) where: Base-Base interactions energy: -13.396 where: short stacking energy: -13.396 Base-Backbone interact. energy: -0.000 local terms energy: -30.507900 where: bonds (distance) C4'-P energy: -5.877 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.731 flat angles P-C4'-P energy: -5.383 tors. eta vs tors. theta energy: -4.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -38.838073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.838073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.838073 (E_RNA) where: Base-Base interactions energy: -12.696 where: short stacking energy: -12.696 Base-Backbone interact. energy: -0.000 local terms energy: -26.142498 where: bonds (distance) C4'-P energy: -5.317 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -6.122 flat angles P-C4'-P energy: -4.573 tors. eta vs tors. theta energy: -3.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -34.958341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.958341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.958341 (E_RNA) where: Base-Base interactions energy: -7.042 where: short stacking energy: -7.042 Base-Backbone interact. energy: -0.000 local terms energy: -27.915834 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.645 flat angles P-C4'-P energy: -5.089 tors. eta vs tors. theta energy: -1.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -34.718306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.718306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.718306 (E_RNA) where: Base-Base interactions energy: -9.473 where: short stacking energy: -9.473 Base-Backbone interact. energy: -0.026 local terms energy: -25.219670 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -5.895 flat angles C4'-P-C4' energy: -6.935 flat angles P-C4'-P energy: -5.597 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: 5, replica: 1 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -35.671988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.671988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.671988 (E_RNA) where: Base-Base interactions energy: -9.441 where: short stacking energy: -9.441 Base-Backbone interact. energy: -0.000 local terms energy: -26.230826 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -5.255 flat angles C4'-P-C4' energy: -6.170 flat angles P-C4'-P energy: -4.446 tors. eta vs tors. theta energy: -3.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -30.364633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.364633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.364633 (E_RNA) where: Base-Base interactions energy: -4.533 where: short stacking energy: -4.533 Base-Backbone interact. energy: -0.069 local terms energy: -25.762590 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.500 flat angles P-C4'-P energy: -4.393 tors. eta vs tors. theta energy: -2.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -29.575764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.575764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.575764 (E_RNA) where: Base-Base interactions energy: -6.514 where: short stacking energy: -6.514 Base-Backbone interact. energy: -0.000 local terms energy: -23.061254 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -5.032 flat angles P-C4'-P energy: -3.151 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: 8, replica: 3 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -28.938013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.938013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.938013 (E_RNA) where: Base-Base interactions energy: -6.980 where: short stacking energy: -6.980 Base-Backbone interact. energy: -0.003 local terms energy: -21.955093 where: bonds (distance) C4'-P energy: -1.973 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -4.268 flat angles P-C4'-P energy: -4.299 tors. eta vs tors. theta energy: -3.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -26.837980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.837980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.837980 (E_RNA) where: Base-Base interactions energy: -3.953 where: short stacking energy: -3.953 Base-Backbone interact. energy: -0.093 local terms energy: -22.792638 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -3.993 flat angles P-C4'-P energy: -4.953 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: 10, replica: 7 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -27.068171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.068171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.068171 (E_RNA) where: Base-Base interactions energy: -6.755 where: short stacking energy: -6.500 Base-Backbone interact. energy: -0.004 local terms energy: -20.309205 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.165 flat angles P-C4'-P energy: -5.104 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: 1, replica: 4 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -35.674476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.674476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.674476 (E_RNA) where: Base-Base interactions energy: -11.543 where: short stacking energy: -11.543 Base-Backbone interact. energy: -0.039 local terms energy: -24.092396 where: bonds (distance) C4'-P energy: -5.264 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.234 flat angles P-C4'-P energy: -3.257 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: 2, replica: 8 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -39.091872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.091872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.091872 (E_RNA) where: Base-Base interactions energy: -11.831 where: short stacking energy: -11.831 Base-Backbone interact. energy: -0.154 local terms energy: -27.107132 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -5.287 flat angles C4'-P-C4' energy: -6.605 flat angles P-C4'-P energy: -4.403 tors. eta vs tors. theta energy: -3.717 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: 9 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -36.349048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.349048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.349048 (E_RNA) where: Base-Base interactions energy: -9.505 where: short stacking energy: -9.505 Base-Backbone interact. energy: -0.007 local terms energy: -26.837625 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -3.634 flat angles P-C4'-P energy: -3.985 tors. eta vs tors. theta energy: -4.697 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: 6 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -37.830972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.830972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.830972 (E_RNA) where: Base-Base interactions energy: -10.425 where: short stacking energy: -10.425 Base-Backbone interact. energy: -0.075 local terms energy: -27.330433 where: bonds (distance) C4'-P energy: -5.545 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.751 flat angles P-C4'-P energy: -2.642 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: 5, replica: 1 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -33.018862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.018862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.018862 (E_RNA) where: Base-Base interactions energy: -6.150 where: short stacking energy: -6.150 Base-Backbone interact. energy: -0.823 local terms energy: -26.046189 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.752 flat angles C4'-P-C4' energy: -7.243 flat angles P-C4'-P energy: -5.122 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: 6, replica: 5 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -31.225545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.225545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.225545 (E_RNA) where: Base-Base interactions energy: -6.584 where: short stacking energy: -6.584 Base-Backbone interact. energy: -0.000 local terms energy: -24.640879 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -4.865 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: 7, replica: 3 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -31.343511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.343511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.343511 (E_RNA) where: Base-Base interactions energy: -9.186 where: short stacking energy: -1.790 Base-Backbone interact. energy: -0.132 local terms energy: -22.026281 where: bonds (distance) C4'-P energy: -4.838 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.765 flat angles P-C4'-P energy: -5.152 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: 8, replica: 10 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -32.927246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.927246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.927246 (E_RNA) where: Base-Base interactions energy: -10.206 where: short stacking energy: -10.206 Base-Backbone interact. energy: -0.006 local terms energy: -22.714611 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -4.691 flat angles P-C4'-P energy: -3.918 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: 9, replica: 7 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -29.553624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.553624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.553624 (E_RNA) where: Base-Base interactions energy: -8.041 where: short stacking energy: -8.041 Base-Backbone interact. energy: -0.119 local terms energy: -21.394223 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -4.552 flat angles P-C4'-P energy: -4.570 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: 10, replica: 2 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -31.935703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.935703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.935703 (E_RNA) where: Base-Base interactions energy: -6.835 where: short stacking energy: -6.835 Base-Backbone interact. energy: -0.009 local terms energy: -25.092270 where: bonds (distance) C4'-P energy: -5.641 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -4.865 flat angles P-C4'-P energy: -5.582 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: 1, replica: 4 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -41.253396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.253396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.253396 (E_RNA) where: Base-Base interactions energy: -11.352 where: short stacking energy: -11.352 Base-Backbone interact. energy: -0.000 local terms energy: -29.901725 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.654 flat angles C4'-P-C4' energy: -6.623 flat angles P-C4'-P energy: -4.831 tors. eta vs tors. theta energy: -5.102 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: 9 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -37.023031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.023031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.023031 (E_RNA) where: Base-Base interactions energy: -8.839 where: short stacking energy: -8.839 Base-Backbone interact. energy: -0.002 local terms energy: -28.182306 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -6.723 flat angles P-C4'-P energy: -5.316 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: 3, replica: 8 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -35.583506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.583506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.583506 (E_RNA) where: Base-Base interactions energy: -8.743 where: short stacking energy: -8.743 Base-Backbone interact. energy: -0.379 local terms energy: -26.461317 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.336 flat angles P-C4'-P energy: -4.170 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: 201 Temperature: 1.050000 Total energy: -33.726451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.726451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.726451 (E_RNA) where: Base-Base interactions energy: -6.755 where: short stacking energy: -6.755 Base-Backbone interact. energy: -0.037 local terms energy: -26.934165 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.989 flat angles P-C4'-P energy: -4.122 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: 5, replica: 6 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -31.132911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.132911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.132911 (E_RNA) where: Base-Base interactions energy: -6.035 where: short stacking energy: -6.035 Base-Backbone interact. energy: -1.239 local terms energy: -23.859035 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.812 flat angles P-C4'-P energy: -5.448 tors. eta vs tors. theta energy: 0.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -30.052750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.052750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.052750 (E_RNA) where: Base-Base interactions energy: -4.837 where: short stacking energy: -4.837 Base-Backbone interact. energy: -0.002 local terms energy: -25.214326 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.526 flat angles P-C4'-P energy: -3.791 tors. eta vs tors. theta energy: -0.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -28.367017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.367017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.367017 (E_RNA) where: Base-Base interactions energy: -7.388 where: short stacking energy: -7.388 Base-Backbone interact. energy: -0.005 local terms energy: -20.973964 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -7.063 flat angles P-C4'-P energy: -1.988 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: 8, replica: 7 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -32.820827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.820827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.820827 (E_RNA) where: Base-Base interactions energy: -8.192 where: short stacking energy: -8.192 Base-Backbone interact. energy: -0.000 local terms energy: -24.628377 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -4.250 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: 9, replica: 10 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -30.786921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.786921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.786921 (E_RNA) where: Base-Base interactions energy: -7.443 where: short stacking energy: -7.443 Base-Backbone interact. energy: -0.008 local terms energy: -23.336777 where: bonds (distance) C4'-P energy: -4.804 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -4.134 flat angles P-C4'-P energy: -4.389 tors. eta vs tors. theta energy: -2.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -29.551520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.551520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.551520 (E_RNA) where: Base-Base interactions energy: -6.639 where: short stacking energy: -6.639 Base-Backbone interact. energy: -0.007 local terms energy: -22.905398 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.740 flat angles P-C4'-P energy: -2.805 tors. eta vs tors. theta energy: 0.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -41.082260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.082260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.082260 (E_RNA) where: Base-Base interactions energy: -11.236 where: short stacking energy: -11.236 Base-Backbone interact. energy: -0.100 local terms energy: -29.746305 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.340 flat angles P-C4'-P energy: -4.057 tors. eta vs tors. theta energy: -5.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -38.289572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.289572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.289572 (E_RNA) where: Base-Base interactions energy: -9.117 where: short stacking energy: -9.117 Base-Backbone interact. energy: -0.139 local terms energy: -29.033535 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.166 flat angles P-C4'-P energy: -5.109 tors. eta vs tors. theta energy: -3.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -36.799922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.799922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.799922 (E_RNA) where: Base-Base interactions energy: -11.001 where: short stacking energy: -11.001 Base-Backbone interact. energy: -0.067 local terms energy: -25.732311 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -6.531 flat angles P-C4'-P energy: -4.608 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: 4, replica: 1 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -34.202982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.202982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.202982 (E_RNA) where: Base-Base interactions energy: -9.360 where: short stacking energy: -9.360 Base-Backbone interact. energy: -0.205 local terms energy: -24.637979 where: bonds (distance) C4'-P energy: -5.815 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -6.268 flat angles P-C4'-P energy: -3.695 tors. eta vs tors. theta energy: -2.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -37.638964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.638964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.638964 (E_RNA) where: Base-Base interactions energy: -10.469 where: short stacking energy: -10.469 Base-Backbone interact. energy: -0.098 local terms energy: -27.072429 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.227 flat angles P-C4'-P energy: -4.141 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: 6, replica: 6 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -30.725626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.725626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.725626 (E_RNA) where: Base-Base interactions energy: -7.228 where: short stacking energy: -5.689 Base-Backbone interact. energy: -0.088 local terms energy: -23.409463 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -5.448 flat angles C4'-P-C4' energy: -5.862 flat angles P-C4'-P energy: -4.845 tors. eta vs tors. theta energy: -1.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -31.759065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.759065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.759065 (E_RNA) where: Base-Base interactions energy: -9.251 where: short stacking energy: -9.251 Base-Backbone interact. energy: -0.099 local terms energy: -22.409141 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -3.219 flat angles C4'-P-C4' energy: -5.711 flat angles P-C4'-P energy: -5.952 tors. eta vs tors. theta energy: -0.619 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: 8, replica: 7 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -28.084431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.084431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.084431 (E_RNA) where: Base-Base interactions energy: -6.584 where: short stacking energy: -6.584 Base-Backbone interact. energy: -0.008 local terms energy: -21.491834 where: bonds (distance) C4'-P energy: -5.740 bonds (distance) P-C4' energy: -7.010 flat angles C4'-P-C4' energy: -6.831 flat angles P-C4'-P energy: -0.995 tors. eta vs tors. theta energy: -0.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -29.372100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.372100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.372100 (E_RNA) where: Base-Base interactions energy: -7.585 where: short stacking energy: -7.585 Base-Backbone interact. energy: 1.316 local terms energy: -23.103712 where: bonds (distance) C4'-P energy: -5.152 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -4.169 flat angles P-C4'-P energy: -3.254 tors. eta vs tors. theta energy: -3.024 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: 202 Temperature: 1.350000 Total energy: -31.050108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.050108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.050108 (E_RNA) where: Base-Base interactions energy: -8.602 where: short stacking energy: -8.602 Base-Backbone interact. energy: -0.000 local terms energy: -22.447903 where: bonds (distance) C4'-P energy: -2.274 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -3.716 flat angles P-C4'-P energy: -4.673 tors. eta vs tors. theta energy: -6.237 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: 9 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -46.932070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.932070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.932070 (E_RNA) where: Base-Base interactions energy: -15.658 where: short stacking energy: -15.658 Base-Backbone interact. energy: -0.000 local terms energy: -31.274008 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.565 flat angles P-C4'-P energy: -5.712 tors. eta vs tors. theta energy: -4.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -35.082228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.082228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.082228 (E_RNA) where: Base-Base interactions energy: -10.807 where: short stacking energy: -10.807 Base-Backbone interact. energy: -0.096 local terms energy: -24.178688 where: bonds (distance) C4'-P energy: -6.722 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -4.768 tors. eta vs tors. theta energy: -1.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -34.382523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.382523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.382523 (E_RNA) where: Base-Base interactions energy: -8.829 where: short stacking energy: -8.829 Base-Backbone interact. energy: -0.000 local terms energy: -25.553702 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -5.287 flat angles P-C4'-P energy: -4.813 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: 4, replica: 3 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -35.872572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.872572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.872572 (E_RNA) where: Base-Base interactions energy: -8.496 where: short stacking energy: -8.496 Base-Backbone interact. energy: -0.019 local terms energy: -27.357686 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.375 flat angles P-C4'-P energy: -3.444 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: 5, replica: 1 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -31.995058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.995058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.995058 (E_RNA) where: Base-Base interactions energy: -9.631 where: short stacking energy: -9.631 Base-Backbone interact. energy: -0.000 local terms energy: -22.364197 where: bonds (distance) C4'-P energy: -5.363 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -4.102 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: 6, replica: 5 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -37.722923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.722923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.722923 (E_RNA) where: Base-Base interactions energy: -10.390 where: short stacking energy: -10.390 Base-Backbone interact. energy: -0.004 local terms energy: -27.329240 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -6.123 flat angles P-C4'-P energy: -4.899 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: 7, replica: 6 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -29.712764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.712764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.712764 (E_RNA) where: Base-Base interactions energy: -4.163 where: short stacking energy: -3.215 Base-Backbone interact. energy: -0.872 local terms energy: -24.677731 where: bonds (distance) C4'-P energy: -6.089 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -6.779 flat angles P-C4'-P energy: -5.094 tors. eta vs tors. theta energy: 0.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -31.934454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.934454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.934454 (E_RNA) where: Base-Base interactions energy: -7.297 where: short stacking energy: -7.297 Base-Backbone interact. energy: -0.051 local terms energy: -24.586321 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -6.456 flat angles P-C4'-P energy: -4.294 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: 9, replica: 7 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -31.842599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.842599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.842599 (E_RNA) where: Base-Base interactions energy: -6.023 where: short stacking energy: -6.023 Base-Backbone interact. energy: -0.000 local terms energy: -25.819921 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.995 flat angles C4'-P-C4' energy: -7.210 flat angles P-C4'-P energy: -3.140 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: 10 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -27.696199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.696199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.696199 (E_RNA) where: Base-Base interactions energy: -10.774 where: short stacking energy: -10.774 Base-Backbone interact. energy: 0.848 local terms energy: -17.769574 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -3.117 flat angles P-C4'-P energy: -1.830 tors. eta vs tors. theta energy: 0.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -37.127183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.127183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.127183 (E_RNA) where: Base-Base interactions energy: -9.106 where: short stacking energy: -9.106 Base-Backbone interact. energy: -0.002 local terms energy: -28.019498 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -7.473 flat angles P-C4'-P energy: -4.563 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: 204 Temperature: 0.950000 Total energy: -34.307392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.307392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.307392 (E_RNA) where: Base-Base interactions energy: -10.386 where: short stacking energy: -10.386 Base-Backbone interact. energy: -0.000 local terms energy: -23.921400 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -7.155 flat angles P-C4'-P energy: -2.508 tors. eta vs tors. theta energy: -3.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -34.403297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.403297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.403297 (E_RNA) where: Base-Base interactions energy: -8.101 where: short stacking energy: -8.101 Base-Backbone interact. energy: -0.001 local terms energy: -26.301764 where: bonds (distance) C4'-P energy: -5.297 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.194 flat angles P-C4'-P energy: -2.900 tors. eta vs tors. theta energy: -3.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -34.963139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.963139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.963139 (E_RNA) where: Base-Base interactions energy: -7.690 where: short stacking energy: -7.690 Base-Backbone interact. energy: -0.000 local terms energy: -27.273541 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -5.967 flat angles C4'-P-C4' energy: -7.109 flat angles P-C4'-P energy: -4.872 tors. eta vs tors. theta energy: -3.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -34.191230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.191230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.191230 (E_RNA) where: Base-Base interactions energy: -5.939 where: short stacking energy: -5.939 Base-Backbone interact. energy: -0.011 local terms energy: -28.241218 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -4.754 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: 6, replica: 5 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -31.537027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.537027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.537027 (E_RNA) where: Base-Base interactions energy: -9.255 where: short stacking energy: -9.255 Base-Backbone interact. energy: -0.013 local terms energy: -22.269146 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -5.784 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -5.315 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: 7, replica: 2 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -30.104409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.104409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.104409 (E_RNA) where: Base-Base interactions energy: -7.937 where: short stacking energy: -7.937 Base-Backbone interact. energy: -0.000 local terms energy: -22.167534 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.303 flat angles P-C4'-P energy: -4.777 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: 8, replica: 6 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -33.360879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.360879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.360879 (E_RNA) where: Base-Base interactions energy: -12.737 where: short stacking energy: -11.476 Base-Backbone interact. energy: -0.005 local terms energy: -20.619029 where: bonds (distance) C4'-P energy: -4.804 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -4.787 flat angles P-C4'-P energy: -3.146 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: 9, replica: 10 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -30.062448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.062448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.062448 (E_RNA) where: Base-Base interactions energy: -3.186 where: short stacking energy: -3.186 Base-Backbone interact. energy: -0.008 local terms energy: -26.868501 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.943 flat angles P-C4'-P energy: -3.927 tors. eta vs tors. theta energy: -2.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -30.971034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.971034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.971034 (E_RNA) where: Base-Base interactions energy: -5.115 where: short stacking energy: -5.115 Base-Backbone interact. energy: -0.064 local terms energy: -25.792196 where: bonds (distance) C4'-P energy: -4.618 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -4.506 flat angles P-C4'-P energy: -5.104 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: 1, replica: 8 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -40.770587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.770587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.770587 (E_RNA) where: Base-Base interactions energy: -10.547 where: short stacking energy: -10.547 Base-Backbone interact. energy: -0.000 local terms energy: -30.223125 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: -4.025 tors. eta vs tors. theta energy: -5.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -34.993911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.993911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.993911 (E_RNA) where: Base-Base interactions energy: -8.967 where: short stacking energy: -9.000 Base-Backbone interact. energy: -0.000 local terms energy: -26.026732 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -6.223 flat angles P-C4'-P energy: -4.128 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: 3, replica: 9 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -38.326118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.326118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.326118 (E_RNA) where: Base-Base interactions energy: -10.744 where: short stacking energy: -10.744 Base-Backbone interact. energy: -0.000 local terms energy: -27.582461 where: bonds (distance) C4'-P energy: -6.845 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -7.077 flat angles P-C4'-P energy: -3.736 tors. eta vs tors. theta energy: -3.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -34.036266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.036266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.036266 (E_RNA) where: Base-Base interactions energy: -10.236 where: short stacking energy: -7.648 Base-Backbone interact. energy: -0.149 local terms energy: -23.651526 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.600 flat angles C4'-P-C4' energy: -6.531 flat angles P-C4'-P energy: -3.478 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: 5, replica: 4 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -34.487330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.487330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.487330 (E_RNA) where: Base-Base interactions energy: -11.121 where: short stacking energy: -11.121 Base-Backbone interact. energy: -0.032 local terms energy: -23.334267 where: bonds (distance) C4'-P energy: -5.193 bonds (distance) P-C4' energy: -4.547 flat angles C4'-P-C4' energy: -7.125 flat angles P-C4'-P energy: -4.216 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: 6, replica: 2 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -29.170210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.170210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.170210 (E_RNA) where: Base-Base interactions energy: -6.563 where: short stacking energy: -6.563 Base-Backbone interact. energy: -0.001 local terms energy: -22.606246 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.084 flat angles P-C4'-P energy: -1.760 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: 7, replica: 5 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -32.015298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.015298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.015298 (E_RNA) where: Base-Base interactions energy: -9.681 where: short stacking energy: -9.681 Base-Backbone interact. energy: -0.001 local terms energy: -22.333291 where: bonds (distance) C4'-P energy: -3.534 bonds (distance) P-C4' energy: -4.286 flat angles C4'-P-C4' energy: -5.298 flat angles P-C4'-P energy: -4.709 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: 8, replica: 10 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -30.396917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.396917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.396917 (E_RNA) where: Base-Base interactions energy: -5.017 where: short stacking energy: -5.067 Base-Backbone interact. energy: -0.100 local terms energy: -25.280091 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -6.257 flat angles P-C4'-P energy: -4.177 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: 9, replica: 6 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -30.378655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.378655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.378655 (E_RNA) where: Base-Base interactions energy: -8.457 where: short stacking energy: -8.457 Base-Backbone interact. energy: -0.001 local terms energy: -21.920017 where: bonds (distance) C4'-P energy: -5.773 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.022 flat angles P-C4'-P energy: -1.830 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: 7 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -29.649642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.649642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.649642 (E_RNA) where: Base-Base interactions energy: -5.949 where: short stacking energy: -5.949 Base-Backbone interact. energy: -0.022 local terms energy: -23.678155 where: bonds (distance) C4'-P energy: -3.381 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -4.656 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: 1, replica: 3 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -42.642636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.642636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.642636 (E_RNA) where: Base-Base interactions energy: -11.204 where: short stacking energy: -11.204 Base-Backbone interact. energy: -0.000 local terms energy: -31.439088 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -5.748 flat angles P-C4'-P energy: -5.801 tors. eta vs tors. theta energy: -6.283 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: 8 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -36.959505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.959505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.959505 (E_RNA) where: Base-Base interactions energy: -11.037 where: short stacking energy: -11.037 Base-Backbone interact. energy: -0.093 local terms energy: -25.829867 where: bonds (distance) C4'-P energy: -5.363 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -3.153 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: 1 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -43.120218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.120218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.120218 (E_RNA) where: Base-Base interactions energy: -14.594 where: short stacking energy: -14.594 Base-Backbone interact. energy: -0.000 local terms energy: -28.526591 where: bonds (distance) C4'-P energy: -5.959 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -5.259 flat angles P-C4'-P energy: -3.647 tors. eta vs tors. theta energy: -6.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -33.456155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.456155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.456155 (E_RNA) where: Base-Base interactions energy: -8.303 where: short stacking energy: -8.303 Base-Backbone interact. energy: -0.000 local terms energy: -25.153062 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -6.026 flat angles P-C4'-P energy: -3.697 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: 2 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -32.496226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.496226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.496226 (E_RNA) where: Base-Base interactions energy: -7.014 where: short stacking energy: -5.022 Base-Backbone interact. energy: -0.123 local terms energy: -25.358480 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -6.373 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: 6, replica: 4 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -34.975703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.975703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.975703 (E_RNA) where: Base-Base interactions energy: -10.690 where: short stacking energy: -10.690 Base-Backbone interact. energy: -0.032 local terms energy: -24.253618 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.901 flat angles P-C4'-P energy: -2.447 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: 7, replica: 10 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -29.598424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.598424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.598424 (E_RNA) where: Base-Base interactions energy: -6.898 where: short stacking energy: -6.898 Base-Backbone interact. energy: -0.015 local terms energy: -22.686002 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -7.573 flat angles P-C4'-P energy: -2.779 tors. eta vs tors. theta energy: 0.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -29.450194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.450194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.450194 (E_RNA) where: Base-Base interactions energy: -6.257 where: short stacking energy: -6.257 Base-Backbone interact. energy: -0.059 local terms energy: -23.134172 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -5.299 flat angles P-C4'-P energy: -4.170 tors. eta vs tors. theta energy: -0.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -26.735234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.735234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.735234 (E_RNA) where: Base-Base interactions energy: -6.574 where: short stacking energy: -6.574 Base-Backbone interact. energy: -0.004 local terms energy: -20.157247 where: bonds (distance) C4'-P energy: -5.271 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -7.135 flat angles P-C4'-P energy: -2.124 tors. eta vs tors. theta energy: 0.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -31.869857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.869857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.869857 (E_RNA) where: Base-Base interactions energy: -8.059 where: short stacking energy: -8.059 Base-Backbone interact. energy: -0.071 local terms energy: -23.740101 where: bonds (distance) C4'-P energy: -5.335 bonds (distance) P-C4' energy: -5.121 flat angles C4'-P-C4' energy: -6.199 flat angles P-C4'-P energy: -4.497 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: 1, replica: 3 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -37.990500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.990500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.990500 (E_RNA) where: Base-Base interactions energy: -12.989 where: short stacking energy: -12.989 Base-Backbone interact. energy: -0.000 local terms energy: -25.000966 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.394 flat angles P-C4'-P energy: -2.625 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: 2, replica: 1 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -41.079661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.079661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.079661 (E_RNA) where: Base-Base interactions energy: -16.886 where: short stacking energy: -16.886 Base-Backbone interact. energy: -0.020 local terms energy: -24.173514 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -5.375 flat angles P-C4'-P energy: -4.171 tors. eta vs tors. theta energy: -1.998 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: 8 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -33.384098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.384098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.384098 (E_RNA) where: Base-Base interactions energy: -7.916 where: short stacking energy: -7.916 Base-Backbone interact. energy: -1.358 local terms energy: -24.109875 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -4.818 flat angles C4'-P-C4' energy: -7.443 flat angles P-C4'-P energy: -3.948 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: 4, replica: 2 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -38.011885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.011885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.011885 (E_RNA) where: Base-Base interactions energy: -9.843 where: short stacking energy: -9.843 Base-Backbone interact. energy: -0.005 local terms energy: -28.164360 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.481 flat angles P-C4'-P energy: -4.650 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: 5, replica: 9 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -31.576192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.576192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.576192 (E_RNA) where: Base-Base interactions energy: -6.075 where: short stacking energy: -6.075 Base-Backbone interact. energy: -0.001 local terms energy: -25.500589 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.267 flat angles P-C4'-P energy: -4.544 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: 6, replica: 10 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -31.288133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.288133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.288133 (E_RNA) where: Base-Base interactions energy: -7.535 where: short stacking energy: -7.535 Base-Backbone interact. energy: -0.016 local terms energy: -23.736750 where: bonds (distance) C4'-P energy: -6.887 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.809 flat angles P-C4'-P energy: -5.227 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: 4 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -32.431960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.431960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.431960 (E_RNA) where: Base-Base interactions energy: -6.607 where: short stacking energy: -6.607 Base-Backbone interact. energy: -0.099 local terms energy: -25.725998 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -7.022 flat angles C4'-P-C4' energy: -6.075 flat angles P-C4'-P energy: -3.929 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: 8, replica: 7 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -32.905150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.905150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.905150 (E_RNA) where: Base-Base interactions energy: -10.593 where: short stacking energy: -10.593 Base-Backbone interact. energy: -0.001 local terms energy: -22.311171 where: bonds (distance) C4'-P energy: -4.568 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -2.165 tors. eta vs tors. theta energy: -3.192 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: 5 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -29.639866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.639866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.639866 (E_RNA) where: Base-Base interactions energy: -7.728 where: short stacking energy: -7.728 Base-Backbone interact. energy: -0.003 local terms energy: -21.908442 where: bonds (distance) C4'-P energy: -3.719 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.680 flat angles P-C4'-P energy: -2.148 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: 10, replica: 6 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -26.325408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.325408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.325408 (E_RNA) where: Base-Base interactions energy: -6.784 where: short stacking energy: -6.784 Base-Backbone interact. energy: -0.097 local terms energy: -19.444278 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.321 flat angles C4'-P-C4' energy: -3.238 flat angles P-C4'-P energy: -4.436 tors. eta vs tors. theta energy: 0.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -36.170145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.170145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.170145 (E_RNA) where: Base-Base interactions energy: -8.146 where: short stacking energy: -8.146 Base-Backbone interact. energy: -0.037 local terms energy: -27.987344 where: bonds (distance) C4'-P energy: -5.309 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -6.377 flat angles P-C4'-P energy: -5.674 tors. eta vs tors. theta energy: -2.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -38.588324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.588324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.588324 (E_RNA) where: Base-Base interactions energy: -10.812 where: short stacking energy: -10.812 Base-Backbone interact. energy: -0.090 local terms energy: -27.685879 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.900 flat angles P-C4'-P energy: -4.097 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: 3, replica: 8 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -36.332148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.332148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.332148 (E_RNA) where: Base-Base interactions energy: -11.100 where: short stacking energy: -11.100 Base-Backbone interact. energy: -0.000 local terms energy: -25.232373 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.222 flat angles P-C4'-P energy: -3.293 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: 4, replica: 2 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -34.344435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.344435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.344435 (E_RNA) where: Base-Base interactions energy: -7.099 where: short stacking energy: -7.099 Base-Backbone interact. energy: -0.011 local terms energy: -27.233558 where: bonds (distance) C4'-P energy: -4.784 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -5.831 flat angles P-C4'-P energy: -5.018 tors. eta vs tors. theta energy: -4.094 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: 10 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -33.994325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.994325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.994325 (E_RNA) where: Base-Base interactions energy: -10.664 where: short stacking energy: -10.664 Base-Backbone interact. energy: -0.026 local terms energy: -23.304182 where: bonds (distance) C4'-P energy: -4.713 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -3.564 flat angles P-C4'-P energy: -4.167 tors. eta vs tors. theta energy: -3.752 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: 9 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -31.853472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.853472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.853472 (E_RNA) where: Base-Base interactions energy: -8.831 where: short stacking energy: -8.831 Base-Backbone interact. energy: -0.000 local terms energy: -23.022297 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -4.602 flat angles C4'-P-C4' energy: -6.198 flat angles P-C4'-P energy: -4.972 tors. eta vs tors. theta energy: -0.636 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: 208 Temperature: 1.200000 Total energy: -32.335569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.335569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.335569 (E_RNA) where: Base-Base interactions energy: -7.830 where: short stacking energy: -7.830 Base-Backbone interact. energy: -0.000 local terms energy: -24.505529 where: bonds (distance) C4'-P energy: -5.959 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.031 flat angles P-C4'-P energy: -4.385 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: 4 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -31.564092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.564092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.564092 (E_RNA) where: Base-Base interactions energy: -4.374 where: short stacking energy: -4.374 Base-Backbone interact. energy: -0.002 local terms energy: -27.188766 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -3.747 tors. eta vs tors. theta energy: -4.430 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: 9, replica: 6 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -26.955214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.955214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.955214 (E_RNA) where: Base-Base interactions energy: -5.212 where: short stacking energy: -5.212 Base-Backbone interact. energy: -0.009 local terms energy: -21.734229 where: bonds (distance) C4'-P energy: -5.226 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -6.109 flat angles P-C4'-P energy: -2.617 tors. eta vs tors. theta energy: -1.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -27.957108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.957108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.957108 (E_RNA) where: Base-Base interactions energy: -2.734 where: short stacking energy: -2.734 Base-Backbone interact. energy: -0.014 local terms energy: -25.208455 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.814 flat angles P-C4'-P energy: -4.157 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: 209 Temperature: 0.900000 Total energy: -34.725948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.725948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.725948 (E_RNA) where: Base-Base interactions energy: -10.936 where: short stacking energy: -10.936 Base-Backbone interact. energy: -0.021 local terms energy: -23.769083 where: bonds (distance) C4'-P energy: -4.814 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -5.179 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: 2, replica: 8 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -33.573714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.573714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.573714 (E_RNA) where: Base-Base interactions energy: -8.092 where: short stacking energy: -8.092 Base-Backbone interact. energy: -0.029 local terms energy: -25.452785 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -5.341 tors. eta vs tors. theta energy: -3.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -38.355483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.355483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.355483 (E_RNA) where: Base-Base interactions energy: -11.224 where: short stacking energy: -11.224 Base-Backbone interact. energy: -0.000 local terms energy: -27.131476 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -4.968 flat angles P-C4'-P energy: -4.763 tors. eta vs tors. theta energy: -4.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -38.369196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.369196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.369196 (E_RNA) where: Base-Base interactions energy: -9.465 where: short stacking energy: -9.465 Base-Backbone interact. energy: -0.000 local terms energy: -28.904686 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.693 flat angles P-C4'-P energy: -4.455 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: 5, replica: 2 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -29.914994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.914994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.914994 (E_RNA) where: Base-Base interactions energy: -2.969 where: short stacking energy: -2.969 Base-Backbone interact. energy: -0.023 local terms energy: -26.923487 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.274 flat angles P-C4'-P energy: -3.699 tors. eta vs tors. theta energy: -1.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -32.505079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.505079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.505079 (E_RNA) where: Base-Base interactions energy: -8.290 where: short stacking energy: -8.145 Base-Backbone interact. energy: 0.256 local terms energy: -24.470979 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -6.638 flat angles P-C4'-P energy: -3.464 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: 7, replica: 9 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -33.883536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.883536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.883536 (E_RNA) where: Base-Base interactions energy: -7.954 where: short stacking energy: -6.499 Base-Backbone interact. energy: -0.025 local terms energy: -25.905244 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.461 flat angles P-C4'-P energy: -2.739 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: 8, replica: 4 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -27.515452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.515452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.515452 (E_RNA) where: Base-Base interactions energy: -7.951 where: short stacking energy: -7.951 Base-Backbone interact. energy: -0.072 local terms energy: -19.492505 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -4.804 flat angles P-C4'-P energy: -3.791 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: 9, replica: 6 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -28.839457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.839457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.839457 (E_RNA) where: Base-Base interactions energy: -8.120 where: short stacking energy: -8.120 Base-Backbone interact. energy: -0.008 local terms energy: -20.711917 where: bonds (distance) C4'-P energy: -5.488 bonds (distance) P-C4' energy: -7.079 flat angles C4'-P-C4' energy: -5.065 flat angles P-C4'-P energy: -1.811 tors. eta vs tors. theta energy: -1.269 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: 5 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -28.492908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.492908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.492908 (E_RNA) where: Base-Base interactions energy: -4.373 where: short stacking energy: -4.373 Base-Backbone interact. energy: -0.065 local terms energy: -24.054946 where: bonds (distance) C4'-P energy: -5.131 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -4.947 tors. eta vs tors. theta energy: -0.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -38.331981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.331981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.331981 (E_RNA) where: Base-Base interactions energy: -9.318 where: short stacking energy: -9.318 Base-Backbone interact. energy: -0.002 local terms energy: -29.012027 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.525 flat angles P-C4'-P energy: -4.739 tors. eta vs tors. theta energy: -2.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -38.211105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.211105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.211105 (E_RNA) where: Base-Base interactions energy: -14.926 where: short stacking energy: -14.926 Base-Backbone interact. energy: -0.000 local terms energy: -23.284818 where: bonds (distance) C4'-P energy: -4.838 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -4.567 flat angles P-C4'-P energy: -3.519 tors. eta vs tors. theta energy: -2.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -34.517208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.517208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.517208 (E_RNA) where: Base-Base interactions energy: -9.190 where: short stacking energy: -9.190 Base-Backbone interact. energy: -0.068 local terms energy: -25.259405 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: -3.389 tors. eta vs tors. theta energy: -3.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -39.667607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.667607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.667607 (E_RNA) where: Base-Base interactions energy: -12.070 where: short stacking energy: -12.070 Base-Backbone interact. energy: -0.001 local terms energy: -27.596216 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -6.485 flat angles P-C4'-P energy: -3.377 tors. eta vs tors. theta energy: -4.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -31.933006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.933006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.933006 (E_RNA) where: Base-Base interactions energy: -6.687 where: short stacking energy: -6.687 Base-Backbone interact. energy: -0.000 local terms energy: -25.245647 where: bonds (distance) C4'-P energy: -5.380 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -3.998 tors. eta vs tors. theta energy: -4.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -32.871790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.871790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.871790 (E_RNA) where: Base-Base interactions energy: -7.646 where: short stacking energy: -7.646 Base-Backbone interact. energy: -0.037 local terms energy: -25.189151 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -6.507 flat angles P-C4'-P energy: -3.599 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: 7, replica: 4 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -33.151016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.151016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.151016 (E_RNA) where: Base-Base interactions energy: -7.436 where: short stacking energy: -7.436 Base-Backbone interact. energy: -0.363 local terms energy: -25.351605 where: bonds (distance) C4'-P energy: -5.156 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -7.096 flat angles P-C4'-P energy: -4.952 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: 8, replica: 9 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -33.301076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.301076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.301076 (E_RNA) where: Base-Base interactions energy: -9.906 where: short stacking energy: -10.306 Base-Backbone interact. energy: -0.048 local terms energy: -23.346554 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -6.539 flat angles P-C4'-P energy: -1.952 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: 5 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -24.602388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.602388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.602388 (E_RNA) where: Base-Base interactions energy: -3.911 where: short stacking energy: -3.911 Base-Backbone interact. energy: -1.063 local terms energy: -19.628087 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -0.535 flat angles P-C4'-P energy: -4.407 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: 10, replica: 6 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -30.230168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.230168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.230168 (E_RNA) where: Base-Base interactions energy: -7.271 where: short stacking energy: -7.271 Base-Backbone interact. energy: -0.019 local terms energy: -22.940381 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -3.522 flat angles P-C4'-P energy: -5.556 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: 211 Temperature: 0.900000 Total energy: -35.159009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.159009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.159009 (E_RNA) where: Base-Base interactions energy: -11.331 where: short stacking energy: -11.331 Base-Backbone interact. energy: -0.115 local terms energy: -23.712814 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -3.387 flat angles P-C4'-P energy: -5.029 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: 2, replica: 10 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -36.171427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.171427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.171427 (E_RNA) where: Base-Base interactions energy: -11.485 where: short stacking energy: -8.564 Base-Backbone interact. energy: -0.047 local terms energy: -24.638659 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -6.885 flat angles P-C4'-P energy: -5.087 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: 3, replica: 8 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -37.196309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.196309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.196309 (E_RNA) where: Base-Base interactions energy: -9.826 where: short stacking energy: -9.826 Base-Backbone interact. energy: -0.001 local terms energy: -27.368953 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.427 flat angles P-C4'-P energy: -3.497 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: 4, replica: 7 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -37.929131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.929131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.929131 (E_RNA) where: Base-Base interactions energy: -12.345 where: short stacking energy: -12.345 Base-Backbone interact. energy: -0.006 local terms energy: -25.577459 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -6.272 flat angles C4'-P-C4' energy: -6.837 flat angles P-C4'-P energy: -4.007 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: 5, replica: 3 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -38.876946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.876946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.876946 (E_RNA) where: Base-Base interactions energy: -10.378 where: short stacking energy: -10.378 Base-Backbone interact. energy: -0.003 local terms energy: -28.495487 where: bonds (distance) C4'-P energy: -4.941 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.328 flat angles P-C4'-P energy: -5.140 tors. eta vs tors. theta energy: -4.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -34.403559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.403559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.403559 (E_RNA) where: Base-Base interactions energy: -7.711 where: short stacking energy: -7.711 Base-Backbone interact. energy: -0.003 local terms energy: -26.689026 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -5.971 flat angles C4'-P-C4' energy: -7.131 flat angles P-C4'-P energy: -3.856 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: 7, replica: 2 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -30.352401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.352401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.352401 (E_RNA) where: Base-Base interactions energy: -10.808 where: short stacking energy: -9.777 Base-Backbone interact. energy: -0.020 local terms energy: -19.524929 where: bonds (distance) C4'-P energy: -1.783 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -6.313 flat angles P-C4'-P energy: -4.229 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: 5 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -31.134989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.134989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.134989 (E_RNA) where: Base-Base interactions energy: -8.722 where: short stacking energy: -8.722 Base-Backbone interact. energy: -0.000 local terms energy: -22.413467 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -4.757 flat angles P-C4'-P energy: -4.445 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: 9, replica: 9 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -31.856838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.856838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.856838 (E_RNA) where: Base-Base interactions energy: -10.526 where: short stacking energy: -10.526 Base-Backbone interact. energy: -0.003 local terms energy: -21.328099 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -1.990 flat angles P-C4'-P energy: -5.522 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: 10, replica: 6 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -27.045038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.045038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.045038 (E_RNA) where: Base-Base interactions energy: -5.810 where: short stacking energy: -5.300 Base-Backbone interact. energy: -0.117 local terms energy: -21.117809 where: bonds (distance) C4'-P energy: -2.021 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.275 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: -1.736 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: 1, replica: 10 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -42.803259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.803259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.803259 (E_RNA) where: Base-Base interactions energy: -15.151 where: short stacking energy: -15.151 Base-Backbone interact. energy: -0.029 local terms energy: -27.623028 where: bonds (distance) C4'-P energy: -4.891 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.958 flat angles P-C4'-P energy: -3.143 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: 2, replica: 1 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -39.217548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.217548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.217548 (E_RNA) where: Base-Base interactions energy: -11.544 where: short stacking energy: -11.544 Base-Backbone interact. energy: -0.106 local terms energy: -27.568028 where: bonds (distance) C4'-P energy: -5.835 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.009 flat angles P-C4'-P energy: -4.334 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: 7 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -32.427185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.427185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.427185 (E_RNA) where: Base-Base interactions energy: -11.073 where: short stacking energy: -7.464 Base-Backbone interact. energy: -0.025 local terms energy: -21.328999 where: bonds (distance) C4'-P energy: -5.271 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.214 flat angles P-C4'-P energy: -3.449 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: 4, replica: 8 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -35.674987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.674987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.674987 (E_RNA) where: Base-Base interactions energy: -10.350 where: short stacking energy: -10.350 Base-Backbone interact. energy: -0.000 local terms energy: -25.324725 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -3.540 flat angles P-C4'-P energy: -5.310 tors. eta vs tors. theta energy: -4.466 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: 4 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -33.757396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.757396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.757396 (E_RNA) where: Base-Base interactions energy: -11.276 where: short stacking energy: -11.276 Base-Backbone interact. energy: -0.001 local terms energy: -22.479875 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -6.235 flat angles P-C4'-P energy: -1.392 tors. eta vs tors. theta energy: -2.212 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: 6, replica: 3 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -34.531191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.531191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.531191 (E_RNA) where: Base-Base interactions energy: -11.316 where: short stacking energy: -10.641 Base-Backbone interact. energy: 0.380 local terms energy: -23.594924 where: bonds (distance) C4'-P energy: -5.835 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -3.996 flat angles P-C4'-P energy: -2.409 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: 7, replica: 5 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -33.309129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.309129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.309129 (E_RNA) where: Base-Base interactions energy: -6.381 where: short stacking energy: -6.381 Base-Backbone interact. energy: -0.007 local terms energy: -26.920997 where: bonds (distance) C4'-P energy: -5.202 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.043 flat angles P-C4'-P energy: -6.459 tors. eta vs tors. theta energy: -2.651 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: 2 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -35.710244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.710244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.710244 (E_RNA) where: Base-Base interactions energy: -11.814 where: short stacking energy: -8.957 Base-Backbone interact. energy: -0.128 local terms energy: -23.768685 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.410 flat angles P-C4'-P energy: -3.946 tors. eta vs tors. theta energy: -0.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -30.780416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.780416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.780416 (E_RNA) where: Base-Base interactions energy: -9.421 where: short stacking energy: -9.421 Base-Backbone interact. energy: -0.204 local terms energy: -21.155291 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -4.239 flat angles P-C4'-P energy: -2.065 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: 212 Temperature: 1.350000 Total energy: -29.435812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.435812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.435812 (E_RNA) where: Base-Base interactions energy: -5.919 where: short stacking energy: -5.919 Base-Backbone interact. energy: -0.071 local terms energy: -23.446687 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -5.302 flat angles C4'-P-C4' energy: -2.868 flat angles P-C4'-P energy: -4.662 tors. eta vs tors. theta energy: -3.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -39.934897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.934897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.934897 (E_RNA) where: Base-Base interactions energy: -11.665 where: short stacking energy: -11.665 Base-Backbone interact. energy: -1.017 local terms energy: -27.252725 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.728 flat angles P-C4'-P energy: -4.876 tors. eta vs tors. theta energy: -1.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -37.267642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.267642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.267642 (E_RNA) where: Base-Base interactions energy: -11.775 where: short stacking energy: -11.775 Base-Backbone interact. energy: -0.088 local terms energy: -25.404668 where: bonds (distance) C4'-P energy: -5.503 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.256 flat angles P-C4'-P energy: -4.215 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: 3, replica: 1 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -34.842667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.842667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.842667 (E_RNA) where: Base-Base interactions energy: -12.797 where: short stacking energy: -12.797 Base-Backbone interact. energy: -0.121 local terms energy: -21.924812 where: bonds (distance) C4'-P energy: -2.938 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.806 flat angles P-C4'-P energy: -3.710 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: 4, replica: 4 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -32.373174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.373174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.373174 (E_RNA) where: Base-Base interactions energy: -8.634 where: short stacking energy: -8.634 Base-Backbone interact. energy: -0.002 local terms energy: -23.737023 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -5.201 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: 5, replica: 8 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -34.830483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.830483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.830483 (E_RNA) where: Base-Base interactions energy: -10.745 where: short stacking energy: -10.745 Base-Backbone interact. energy: -0.015 local terms energy: -24.070637 where: bonds (distance) C4'-P energy: -4.589 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.453 flat angles P-C4'-P energy: -3.873 tors. eta vs tors. theta energy: -2.044 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: 5 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -33.325271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.325271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.325271 (E_RNA) where: Base-Base interactions energy: -9.197 where: short stacking energy: -9.197 Base-Backbone interact. energy: -0.082 local terms energy: -24.045763 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -6.209 flat angles P-C4'-P energy: -1.875 tors. eta vs tors. theta energy: -2.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -29.910982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.910982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.910982 (E_RNA) where: Base-Base interactions energy: -4.109 where: short stacking energy: -4.109 Base-Backbone interact. energy: -2.440 local terms energy: -23.361272 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -3.632 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: 8, replica: 6 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -35.234270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.234270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.234270 (E_RNA) where: Base-Base interactions energy: -7.564 where: short stacking energy: -7.564 Base-Backbone interact. energy: -0.067 local terms energy: -27.603283 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -7.465 flat angles P-C4'-P energy: -3.990 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: 9, replica: 2 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -31.613550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.613550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.613550 (E_RNA) where: Base-Base interactions energy: -8.012 where: short stacking energy: -8.012 Base-Backbone interact. energy: -0.004 local terms energy: -23.597932 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -2.572 tors. eta vs tors. theta energy: -1.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -30.023890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.023890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.023890 (E_RNA) where: Base-Base interactions energy: -5.993 where: short stacking energy: -5.993 Base-Backbone interact. energy: -0.025 local terms energy: -24.006204 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.701 flat angles P-C4'-P energy: -3.198 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: 1, replica: 7 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -38.813564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.813564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.813564 (E_RNA) where: Base-Base interactions energy: -11.551 where: short stacking energy: -11.551 Base-Backbone interact. energy: -0.105 local terms energy: -27.157667 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.348 flat angles P-C4'-P energy: -4.160 tors. eta vs tors. theta energy: -3.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -38.950044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.950044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.950044 (E_RNA) where: Base-Base interactions energy: -11.560 where: short stacking energy: -11.560 Base-Backbone interact. energy: -0.109 local terms energy: -27.280747 where: bonds (distance) C4'-P energy: -3.550 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -7.201 flat angles P-C4'-P energy: -5.705 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: 3, replica: 4 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -44.510149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.510149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.510149 (E_RNA) where: Base-Base interactions energy: -13.902 where: short stacking energy: -13.902 Base-Backbone interact. energy: -0.000 local terms energy: -30.608592 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -5.464 flat angles P-C4'-P energy: -5.410 tors. eta vs tors. theta energy: -5.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -33.591112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.591112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.591112 (E_RNA) where: Base-Base interactions energy: -10.626 where: short stacking energy: -10.626 Base-Backbone interact. energy: -0.170 local terms energy: -22.795053 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: -5.489 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: 5, replica: 5 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -34.757303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.757303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.757303 (E_RNA) where: Base-Base interactions energy: -10.191 where: short stacking energy: -10.191 Base-Backbone interact. energy: 0.094 local terms energy: -24.659826 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.997 flat angles P-C4'-P energy: -1.789 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: 6, replica: 8 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -32.534388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.534388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.534388 (E_RNA) where: Base-Base interactions energy: -10.237 where: short stacking energy: -10.237 Base-Backbone interact. energy: -0.025 local terms energy: -22.273267 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -6.475 flat angles P-C4'-P energy: -4.200 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: 7, replica: 6 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -32.545283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.545283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.545283 (E_RNA) where: Base-Base interactions energy: -8.273 where: short stacking energy: -8.273 Base-Backbone interact. energy: -1.057 local terms energy: -23.215401 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -4.206 flat angles P-C4'-P energy: -3.641 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: 8, replica: 3 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -29.196452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.196452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.196452 (E_RNA) where: Base-Base interactions energy: -6.363 where: short stacking energy: -6.363 Base-Backbone interact. energy: -0.038 local terms energy: -22.795447 where: bonds (distance) C4'-P energy: -5.098 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.421 flat angles P-C4'-P energy: -3.377 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: 9, replica: 9 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -26.538611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.538611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.538611 (E_RNA) where: Base-Base interactions energy: -0.944 where: short stacking energy: 1.007 Base-Backbone interact. energy: -0.632 local terms energy: -24.962489 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -4.825 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: 10, replica: 2 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -26.850499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.850499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.850499 (E_RNA) where: Base-Base interactions energy: -1.696 where: short stacking energy: -1.696 Base-Backbone interact. energy: -0.130 local terms energy: -25.024991 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.054 flat angles P-C4'-P energy: -5.923 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: 1, replica: 7 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -43.819592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.819592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.819592 (E_RNA) where: Base-Base interactions energy: -13.251 where: short stacking energy: -13.252 Base-Backbone interact. energy: -0.097 local terms energy: -30.471724 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.127 flat angles P-C4'-P energy: -5.308 tors. eta vs tors. theta energy: -4.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -38.063913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.063913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.063913 (E_RNA) where: Base-Base interactions energy: -12.014 where: short stacking energy: -12.014 Base-Backbone interact. energy: -0.000 local terms energy: -26.049541 where: bonds (distance) C4'-P energy: -5.773 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.367 flat angles P-C4'-P energy: -4.474 tors. eta vs tors. theta energy: -2.133 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: 10 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -32.452884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.452884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.452884 (E_RNA) where: Base-Base interactions energy: -5.950 where: short stacking energy: -5.950 Base-Backbone interact. energy: -0.043 local terms energy: -26.460328 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -6.351 flat angles P-C4'-P energy: -5.935 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: 4, replica: 5 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -39.841039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.841039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.841039 (E_RNA) where: Base-Base interactions energy: -14.413 where: short stacking energy: -14.413 Base-Backbone interact. energy: -0.085 local terms energy: -25.342773 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -5.518 flat angles P-C4'-P energy: -3.121 tors. eta vs tors. theta energy: -3.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -34.398978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.398978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.398978 (E_RNA) where: Base-Base interactions energy: -9.634 where: short stacking energy: -9.634 Base-Backbone interact. energy: -0.002 local terms energy: -24.762880 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -4.272 flat angles P-C4'-P energy: -4.661 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: 6, replica: 6 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -33.001097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.001097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.001097 (E_RNA) where: Base-Base interactions energy: -8.840 where: short stacking energy: -8.992 Base-Backbone interact. energy: 0.067 local terms energy: -24.227436 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.519 flat angles P-C4'-P energy: -1.623 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: 7, replica: 8 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -32.977180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.977180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.977180 (E_RNA) where: Base-Base interactions energy: -7.431 where: short stacking energy: -7.098 Base-Backbone interact. energy: -0.117 local terms energy: -25.429124 where: bonds (distance) C4'-P energy: -6.129 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.902 flat angles P-C4'-P energy: -4.385 tors. eta vs tors. theta energy: -1.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -31.560261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.560261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.560261 (E_RNA) where: Base-Base interactions energy: -7.431 where: short stacking energy: -7.431 Base-Backbone interact. energy: -0.119 local terms energy: -24.010545 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.069 flat angles C4'-P-C4' energy: -4.435 flat angles P-C4'-P energy: -3.234 tors. eta vs tors. theta energy: -3.180 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: 3 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -31.607345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.607345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.607345 (E_RNA) where: Base-Base interactions energy: -5.635 where: short stacking energy: -5.830 Base-Backbone interact. energy: -0.001 local terms energy: -25.971540 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.493 flat angles P-C4'-P energy: -4.061 tors. eta vs tors. theta energy: -2.544 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: 10, replica: 2 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -25.755221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.755221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.755221 (E_RNA) where: Base-Base interactions energy: -8.103 where: short stacking energy: -8.103 Base-Backbone interact. energy: -0.002 local terms energy: -17.649302 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -2.610 flat angles P-C4'-P energy: -3.517 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: 1, replica: 4 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -38.266588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.266588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.266588 (E_RNA) where: Base-Base interactions energy: -12.691 where: short stacking energy: -12.691 Base-Backbone interact. energy: -0.001 local terms energy: -25.574697 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.589 flat angles P-C4'-P energy: -4.176 tors. eta vs tors. theta energy: -1.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -35.652953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.652953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.652953 (E_RNA) where: Base-Base interactions energy: -9.984 where: short stacking energy: -9.984 Base-Backbone interact. energy: -0.125 local terms energy: -25.543868 where: bonds (distance) C4'-P energy: -3.477 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.783 flat angles P-C4'-P energy: -6.346 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: 3, replica: 5 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -32.359382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.359382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.359382 (E_RNA) where: Base-Base interactions energy: -11.880 where: short stacking energy: -8.078 Base-Backbone interact. energy: -0.163 local terms energy: -20.316874 where: bonds (distance) C4'-P energy: -4.775 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.547 flat angles P-C4'-P energy: -2.726 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: 4, replica: 10 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -33.914844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.914844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.914844 (E_RNA) where: Base-Base interactions energy: -8.227 where: short stacking energy: -8.227 Base-Backbone interact. energy: -0.046 local terms energy: -25.641869 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -5.556 tors. eta vs tors. theta energy: -1.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -35.358776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.358776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.358776 (E_RNA) where: Base-Base interactions energy: -11.726 where: short stacking energy: -6.806 Base-Backbone interact. energy: -0.000 local terms energy: -23.632468 where: bonds (distance) C4'-P energy: -4.953 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -4.073 flat angles P-C4'-P energy: -4.970 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: 6, replica: 1 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -33.310985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.310985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.310985 (E_RNA) where: Base-Base interactions energy: -7.586 where: short stacking energy: -7.586 Base-Backbone interact. energy: -0.002 local terms energy: -25.723025 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -6.397 flat angles C4'-P-C4' energy: -6.788 flat angles P-C4'-P energy: -3.674 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: 7, replica: 9 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -33.113128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.113128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.113128 (E_RNA) where: Base-Base interactions energy: -8.717 where: short stacking energy: -8.717 Base-Backbone interact. energy: -0.087 local terms energy: -24.309380 where: bonds (distance) C4'-P energy: -5.718 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -5.330 flat angles P-C4'-P energy: -4.572 tors. eta vs tors. theta energy: -2.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -27.221846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.221846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.221846 (E_RNA) where: Base-Base interactions energy: -6.429 where: short stacking energy: -6.429 Base-Backbone interact. energy: -0.028 local terms energy: -20.764334 where: bonds (distance) C4'-P energy: -5.604 bonds (distance) P-C4' energy: -5.291 flat angles C4'-P-C4' energy: -6.025 flat angles P-C4'-P energy: -3.792 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: 9, replica: 2 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -26.996735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.996735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.996735 (E_RNA) where: Base-Base interactions energy: -5.360 where: short stacking energy: -5.360 Base-Backbone interact. energy: -0.001 local terms energy: -21.636374 where: bonds (distance) C4'-P energy: -5.716 bonds (distance) P-C4' energy: -6.318 flat angles C4'-P-C4' energy: -6.787 flat angles P-C4'-P energy: -2.602 tors. eta vs tors. theta energy: -0.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -26.301593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.301593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.301593 (E_RNA) where: Base-Base interactions energy: -7.021 where: short stacking energy: -6.468 Base-Backbone interact. energy: -0.198 local terms energy: -19.082071 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -3.764 flat angles P-C4'-P energy: -1.534 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: 1, replica: 4 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -35.446400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.446400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.446400 (E_RNA) where: Base-Base interactions energy: -10.469 where: short stacking energy: -10.469 Base-Backbone interact. energy: -0.083 local terms energy: -24.894451 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -5.034 flat angles P-C4'-P energy: -3.755 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: 2, replica: 5 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -39.738690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.738690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.738690 (E_RNA) where: Base-Base interactions energy: -12.092 where: short stacking energy: -12.092 Base-Backbone interact. energy: -0.000 local terms energy: -27.647011 where: bonds (distance) C4'-P energy: -5.604 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.167 flat angles P-C4'-P energy: -5.487 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: 3, replica: 7 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -33.796482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.796482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.796482 (E_RNA) where: Base-Base interactions energy: -8.684 where: short stacking energy: -8.684 Base-Backbone interact. energy: -0.033 local terms energy: -25.079428 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.860 flat angles P-C4'-P energy: -4.698 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: 4, replica: 6 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -36.054840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.054840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.054840 (E_RNA) where: Base-Base interactions energy: -10.196 where: short stacking energy: -10.196 Base-Backbone interact. energy: -0.039 local terms energy: -25.819793 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.974 flat angles P-C4'-P energy: -4.896 tors. eta vs tors. theta energy: -1.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -28.599152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.599152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.599152 (E_RNA) where: Base-Base interactions energy: -6.197 where: short stacking energy: -6.197 Base-Backbone interact. energy: 0.525 local terms energy: -22.926976 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.544 flat angles P-C4'-P energy: -3.376 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: 6, replica: 1 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -30.629110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.629110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.629110 (E_RNA) where: Base-Base interactions energy: -10.988 where: short stacking energy: -10.988 Base-Backbone interact. energy: -0.121 local terms energy: -19.520683 where: bonds (distance) C4'-P energy: -4.593 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -3.290 flat angles P-C4'-P energy: -3.851 tors. eta vs tors. theta energy: -0.227 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: 9 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -30.713979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.713979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.713979 (E_RNA) where: Base-Base interactions energy: -3.937 where: short stacking energy: -5.490 Base-Backbone interact. energy: -0.105 local terms energy: -26.672672 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.003 flat angles P-C4'-P energy: -5.777 tors. eta vs tors. theta energy: -1.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -30.883196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.883196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.883196 (E_RNA) where: Base-Base interactions energy: -6.459 where: short stacking energy: -6.459 Base-Backbone interact. energy: 0.251 local terms energy: -24.675287 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.088 flat angles P-C4'-P energy: -3.221 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: 9, replica: 8 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -34.308033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.308033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.308033 (E_RNA) where: Base-Base interactions energy: -12.229 where: short stacking energy: -12.229 Base-Backbone interact. energy: -0.036 local terms energy: -22.042542 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -6.894 flat angles P-C4'-P energy: -2.883 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: 3 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -26.950213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.950213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.950213 (E_RNA) where: Base-Base interactions energy: -3.367 where: short stacking energy: -3.367 Base-Backbone interact. energy: -0.170 local terms energy: -23.412720 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.391 flat angles P-C4'-P energy: -4.212 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: 1, replica: 5 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -39.285870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.285870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.285870 (E_RNA) where: Base-Base interactions energy: -11.313 where: short stacking energy: -11.313 Base-Backbone interact. energy: -0.001 local terms energy: -27.972442 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.325 flat angles P-C4'-P energy: -5.837 tors. eta vs tors. theta energy: -1.542 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: 4 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -38.911926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.911926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.911926 (E_RNA) where: Base-Base interactions energy: -10.008 where: short stacking energy: -10.103 Base-Backbone interact. energy: -0.266 local terms energy: -28.637850 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.491 flat angles P-C4'-P energy: -5.637 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: 7 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -41.460171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.460171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.460171 (E_RNA) where: Base-Base interactions energy: -14.239 where: short stacking energy: -14.239 Base-Backbone interact. energy: -0.000 local terms energy: -27.220775 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -6.075 flat angles P-C4'-P energy: -2.342 tors. eta vs tors. theta energy: -5.128 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: 6 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -31.636500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.636500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.636500 (E_RNA) where: Base-Base interactions energy: -10.513 where: short stacking energy: -10.513 Base-Backbone interact. energy: -0.009 local terms energy: -21.114297 where: bonds (distance) C4'-P energy: -5.488 bonds (distance) P-C4' energy: -3.473 flat angles C4'-P-C4' energy: -6.676 flat angles P-C4'-P energy: -5.086 tors. eta vs tors. theta energy: -0.392 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: 1 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -34.369354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.369354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.369354 (E_RNA) where: Base-Base interactions energy: -11.933 where: short stacking energy: -11.933 Base-Backbone interact. energy: -0.002 local terms energy: -22.433973 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -5.321 flat angles C4'-P-C4' energy: -6.537 flat angles P-C4'-P energy: -3.768 tors. eta vs tors. theta energy: -0.761 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: 6, replica: 10 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -32.081012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.081012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.081012 (E_RNA) where: Base-Base interactions energy: -7.195 where: short stacking energy: -7.195 Base-Backbone interact. energy: -0.002 local terms energy: -24.884450 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -6.103 flat angles P-C4'-P energy: -3.222 tors. eta vs tors. theta energy: -2.839 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: 2 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -31.817566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.817566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.817566 (E_RNA) where: Base-Base interactions energy: -8.706 where: short stacking energy: -7.677 Base-Backbone interact. energy: -0.007 local terms energy: -23.104382 where: bonds (distance) C4'-P energy: -6.220 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -5.006 flat angles P-C4'-P energy: -5.217 tors. eta vs tors. theta energy: -0.434 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: 8, replica: 9 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -32.077110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.077110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.077110 (E_RNA) where: Base-Base interactions energy: -5.898 where: short stacking energy: -5.898 Base-Backbone interact. energy: -0.000 local terms energy: -26.178927 where: bonds (distance) C4'-P energy: -4.846 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -4.808 flat angles P-C4'-P energy: -5.094 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: 9, replica: 3 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -32.324710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.324710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.324710 (E_RNA) where: Base-Base interactions energy: -11.264 where: short stacking energy: -11.264 Base-Backbone interact. energy: -0.150 local terms energy: -20.910737 where: bonds (distance) C4'-P energy: -5.620 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -2.319 tors. eta vs tors. theta energy: -0.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -31.054350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.054350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.054350 (E_RNA) where: Base-Base interactions energy: -9.234 where: short stacking energy: -9.234 Base-Backbone interact. energy: -0.124 local terms energy: -21.695899 where: bonds (distance) C4'-P energy: -5.023 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -3.471 tors. eta vs tors. theta energy: -0.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -42.992192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.992192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.992192 (E_RNA) where: Base-Base interactions energy: -16.229 where: short stacking energy: -16.229 Base-Backbone interact. energy: -0.039 local terms energy: -26.723829 where: bonds (distance) C4'-P energy: -4.073 bonds (distance) P-C4' energy: -7.022 flat angles C4'-P-C4' energy: -6.902 flat angles P-C4'-P energy: -4.545 tors. eta vs tors. theta energy: -4.182 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: 2, replica: 7 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -37.589722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.589722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.589722 (E_RNA) where: Base-Base interactions energy: -11.512 where: short stacking energy: -11.512 Base-Backbone interact. energy: -0.055 local terms energy: -26.022187 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -2.799 flat angles P-C4'-P energy: -5.005 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: 3, replica: 4 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -35.213080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.213080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.213080 (E_RNA) where: Base-Base interactions energy: -11.514 where: short stacking energy: -11.514 Base-Backbone interact. energy: -0.062 local terms energy: -23.636472 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -4.701 flat angles P-C4'-P energy: -3.710 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: 4, replica: 1 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -33.514635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.514635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.514635 (E_RNA) where: Base-Base interactions energy: -10.253 where: short stacking energy: -10.253 Base-Backbone interact. energy: -0.001 local terms energy: -23.260258 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -1.835 flat angles P-C4'-P energy: -4.652 tors. eta vs tors. theta energy: -2.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -36.150809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.150809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.150809 (E_RNA) where: Base-Base interactions energy: -10.219 where: short stacking energy: -10.219 Base-Backbone interact. energy: -0.399 local terms energy: -25.533097 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -5.883 flat angles P-C4'-P energy: -4.352 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: 6, replica: 2 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -28.443221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.443221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.443221 (E_RNA) where: Base-Base interactions energy: -3.489 where: short stacking energy: -3.489 Base-Backbone interact. energy: 0.042 local terms energy: -24.996310 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.989 flat angles P-C4'-P energy: -5.292 tors. eta vs tors. theta energy: 0.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -27.563093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.563093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.563093 (E_RNA) where: Base-Base interactions energy: -6.243 where: short stacking energy: -6.243 Base-Backbone interact. energy: -0.059 local terms energy: -21.261657 where: bonds (distance) C4'-P energy: -5.902 bonds (distance) P-C4' energy: -5.737 flat angles C4'-P-C4' energy: -5.341 flat angles P-C4'-P energy: -3.580 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: 3 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -29.566331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.566331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.566331 (E_RNA) where: Base-Base interactions energy: -5.737 where: short stacking energy: -5.737 Base-Backbone interact. energy: -0.130 local terms energy: -23.699306 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -5.513 flat angles P-C4'-P energy: -4.282 tors. eta vs tors. theta energy: -0.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -37.353131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.353131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.353131 (E_RNA) where: Base-Base interactions energy: -15.094 where: short stacking energy: -15.094 Base-Backbone interact. energy: -0.095 local terms energy: -22.163527 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -3.947 flat angles C4'-P-C4' energy: -3.704 flat angles P-C4'-P energy: -4.416 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: 10, replica: 8 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -27.980239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.980239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.980239 (E_RNA) where: Base-Base interactions energy: -6.557 where: short stacking energy: -5.014 Base-Backbone interact. energy: -0.514 local terms energy: -20.909353 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.290 flat angles C4'-P-C4' energy: -4.646 flat angles P-C4'-P energy: -4.532 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: 220 Temperature: 0.900000 Total energy: -37.148645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.148645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.148645 (E_RNA) where: Base-Base interactions energy: -13.738 where: short stacking energy: -13.738 Base-Backbone interact. energy: -0.083 local terms energy: -23.327304 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.680 flat angles P-C4'-P energy: -3.254 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: 2, replica: 7 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -38.312676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.312676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.312676 (E_RNA) where: Base-Base interactions energy: -12.201 where: short stacking energy: -12.201 Base-Backbone interact. energy: -0.009 local terms energy: -26.103279 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.897 flat angles P-C4'-P energy: -3.248 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: 3, replica: 1 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -35.307298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.307298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.307298 (E_RNA) where: Base-Base interactions energy: -10.264 where: short stacking energy: -10.264 Base-Backbone interact. energy: -0.005 local terms energy: -25.037847 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.187 flat angles P-C4'-P energy: -5.974 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: 4, replica: 4 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -41.840076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.840076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.840076 (E_RNA) where: Base-Base interactions energy: -12.799 where: short stacking energy: -12.799 Base-Backbone interact. energy: -0.001 local terms energy: -29.041046 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -4.389 flat angles P-C4'-P energy: -5.510 tors. eta vs tors. theta energy: -4.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -34.692960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.692960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.692960 (E_RNA) where: Base-Base interactions energy: -9.708 where: short stacking energy: -8.009 Base-Backbone interact. energy: -0.242 local terms energy: -24.742934 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -7.119 flat angles P-C4'-P energy: -3.896 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: 6, replica: 6 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -32.940586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.940586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.940586 (E_RNA) where: Base-Base interactions energy: -6.091 where: short stacking energy: -6.091 Base-Backbone interact. energy: -0.000 local terms energy: -26.849541 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.870 flat angles P-C4'-P energy: -4.824 tors. eta vs tors. theta energy: -1.535 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: 3 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -31.578926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.578926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.578926 (E_RNA) where: Base-Base interactions energy: -3.988 where: short stacking energy: -3.988 Base-Backbone interact. energy: -0.002 local terms energy: -27.589244 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.376 flat angles P-C4'-P energy: -4.233 tors. eta vs tors. theta energy: -1.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -29.606597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.606597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.606597 (E_RNA) where: Base-Base interactions energy: -5.970 where: short stacking energy: -5.970 Base-Backbone interact. energy: -0.000 local terms energy: -23.636971 where: bonds (distance) C4'-P energy: -5.219 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -6.741 flat angles P-C4'-P energy: -2.394 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: 9, replica: 8 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -28.662971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.662971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.662971 (E_RNA) where: Base-Base interactions energy: -8.142 where: short stacking energy: -8.142 Base-Backbone interact. energy: -0.042 local terms energy: -20.479508 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -5.989 flat angles P-C4'-P energy: -3.762 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: 10, replica: 9 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -27.259502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.259502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.259502 (E_RNA) where: Base-Base interactions energy: -5.216 where: short stacking energy: -5.216 Base-Backbone interact. energy: -0.023 local terms energy: -22.020238 where: bonds (distance) C4'-P energy: -3.467 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -6.141 flat angles P-C4'-P energy: -3.887 tors. eta vs tors. theta energy: -2.720 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: 5 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -36.762555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.762555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.762555 (E_RNA) where: Base-Base interactions energy: -6.825 where: short stacking energy: -6.825 Base-Backbone interact. energy: -0.067 local terms energy: -29.870860 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -6.488 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: 221 Temperature: 0.950000 Total energy: -37.061285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.061285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.061285 (E_RNA) where: Base-Base interactions energy: -11.083 where: short stacking energy: -11.083 Base-Backbone interact. energy: -0.054 local terms energy: -25.923667 where: bonds (distance) C4'-P energy: -5.309 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.358 flat angles P-C4'-P energy: -4.759 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: 3, replica: 7 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -34.540431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.540431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.540431 (E_RNA) where: Base-Base interactions energy: -9.609 where: short stacking energy: -9.609 Base-Backbone interact. energy: -0.115 local terms energy: -24.816434 where: bonds (distance) C4'-P energy: -3.889 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -6.204 flat angles P-C4'-P energy: -5.157 tors. eta vs tors. theta energy: -2.927 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: 2 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -33.721371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.721371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.721371 (E_RNA) where: Base-Base interactions energy: -10.860 where: short stacking energy: -10.860 Base-Backbone interact. energy: -0.000 local terms energy: -22.861190 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -6.212 flat angles P-C4'-P energy: -3.740 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: 5, replica: 4 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -31.694096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.694096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.694096 (E_RNA) where: Base-Base interactions energy: -9.711 where: short stacking energy: -9.711 Base-Backbone interact. energy: -0.124 local terms energy: -21.858797 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.831 flat angles P-C4'-P energy: -2.009 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: 6, replica: 6 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -36.618625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.618625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.618625 (E_RNA) where: Base-Base interactions energy: -11.176 where: short stacking energy: -11.475 Base-Backbone interact. energy: -0.035 local terms energy: -25.407306 where: bonds (distance) C4'-P energy: -5.848 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.489 flat angles P-C4'-P energy: -4.482 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: 7, replica: 3 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -35.302569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.302569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.302569 (E_RNA) where: Base-Base interactions energy: -10.303 where: short stacking energy: -10.303 Base-Backbone interact. energy: -0.000 local terms energy: -24.999621 where: bonds (distance) C4'-P energy: -6.151 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -6.452 flat angles P-C4'-P energy: -1.872 tors. eta vs tors. theta energy: -4.026 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: 8 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -31.062168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.062168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.062168 (E_RNA) where: Base-Base interactions energy: -10.683 where: short stacking energy: -10.683 Base-Backbone interact. energy: -0.569 local terms energy: -19.810183 where: bonds (distance) C4'-P energy: -5.103 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -4.589 flat angles P-C4'-P energy: -1.631 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: 9, replica: 10 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -27.969454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.969454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.969454 (E_RNA) where: Base-Base interactions energy: -3.961 where: short stacking energy: -3.961 Base-Backbone interact. energy: -0.058 local terms energy: -23.950687 where: bonds (distance) C4'-P energy: -5.480 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -3.377 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: 10, replica: 9 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -30.357200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.357200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.357200 (E_RNA) where: Base-Base interactions energy: -9.508 where: short stacking energy: -9.508 Base-Backbone interact. energy: -0.001 local terms energy: -20.848107 where: bonds (distance) C4'-P energy: -0.585 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.492 flat angles P-C4'-P energy: -4.586 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: 1 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -45.041423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.041423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.041423 (E_RNA) where: Base-Base interactions energy: -16.027 where: short stacking energy: -16.027 Base-Backbone interact. energy: -0.000 local terms energy: -29.014492 where: bonds (distance) C4'-P energy: -5.661 bonds (distance) P-C4' energy: -5.967 flat angles C4'-P-C4' energy: -5.611 flat angles P-C4'-P energy: -4.714 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: 2, replica: 5 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -37.219950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.219950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.219950 (E_RNA) where: Base-Base interactions energy: -8.959 where: short stacking energy: -8.959 Base-Backbone interact. energy: -0.007 local terms energy: -28.253624 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -6.410 flat angles P-C4'-P energy: -4.896 tors. eta vs tors. theta energy: -3.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -37.061423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.061423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.061423 (E_RNA) where: Base-Base interactions energy: -12.831 where: short stacking energy: -11.556 Base-Backbone interact. energy: -0.000 local terms energy: -24.230834 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.029 flat angles C4'-P-C4' energy: -4.807 flat angles P-C4'-P energy: -5.123 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: 4, replica: 7 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -35.850853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.850853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.850853 (E_RNA) where: Base-Base interactions energy: -8.016 where: short stacking energy: -8.016 Base-Backbone interact. energy: -0.052 local terms energy: -27.783223 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -6.995 flat angles P-C4'-P energy: -5.248 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: 5, replica: 6 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -32.014824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.014824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.014824 (E_RNA) where: Base-Base interactions energy: -6.390 where: short stacking energy: -6.202 Base-Backbone interact. energy: -0.049 local terms energy: -25.576315 where: bonds (distance) C4'-P energy: -4.990 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.985 flat angles P-C4'-P energy: -3.806 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: 6, replica: 4 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -33.204911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.204911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.204911 (E_RNA) where: Base-Base interactions energy: -7.160 where: short stacking energy: -7.160 Base-Backbone interact. energy: -0.336 local terms energy: -25.708468 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.519 flat angles P-C4'-P energy: -4.355 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: 7, replica: 8 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -35.621711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.621711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.621711 (E_RNA) where: Base-Base interactions energy: -8.098 where: short stacking energy: -8.098 Base-Backbone interact. energy: -0.000 local terms energy: -27.523247 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.285 flat angles P-C4'-P energy: -4.118 tors. eta vs tors. theta energy: -4.036 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: 3 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -31.163483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.163483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.163483 (E_RNA) where: Base-Base interactions energy: -7.082 where: short stacking energy: -7.082 Base-Backbone interact. energy: 0.213 local terms energy: -24.294148 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.619 flat angles P-C4'-P energy: -5.157 tors. eta vs tors. theta energy: 0.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -28.042020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.042020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.042020 (E_RNA) where: Base-Base interactions energy: -4.445 where: short stacking energy: -4.445 Base-Backbone interact. energy: -0.024 local terms energy: -23.572871 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.060 flat angles P-C4'-P energy: -4.565 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: 10, replica: 10 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -28.814442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.814442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.814442 (E_RNA) where: Base-Base interactions energy: -5.557 where: short stacking energy: -5.557 Base-Backbone interact. energy: -0.057 local terms energy: -23.200654 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -6.038 flat angles P-C4'-P energy: -4.873 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: 1, replica: 1 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -36.693195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.693195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.693195 (E_RNA) where: Base-Base interactions energy: -11.523 where: short stacking energy: -11.523 Base-Backbone interact. energy: -0.476 local terms energy: -24.694527 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.384 flat angles P-C4'-P energy: -1.255 tors. eta vs tors. theta energy: -2.767 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: 2 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -35.999427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.999427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.999427 (E_RNA) where: Base-Base interactions energy: -10.781 where: short stacking energy: -10.781 Base-Backbone interact. energy: -0.189 local terms energy: -25.030107 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -4.210 tors. eta vs tors. theta energy: -2.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -36.340082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.340082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.340082 (E_RNA) where: Base-Base interactions energy: -8.790 where: short stacking energy: -8.790 Base-Backbone interact. energy: -0.622 local terms energy: -26.928155 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.438 flat angles P-C4'-P energy: -3.745 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: 4, replica: 6 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -34.520097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.520097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.520097 (E_RNA) where: Base-Base interactions energy: -10.737 where: short stacking energy: -10.737 Base-Backbone interact. energy: -0.000 local terms energy: -23.783421 where: bonds (distance) C4'-P energy: -5.193 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -6.427 flat angles P-C4'-P energy: -3.277 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: 5, replica: 7 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -31.673997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.673997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.673997 (E_RNA) where: Base-Base interactions energy: -5.401 where: short stacking energy: -5.401 Base-Backbone interact. energy: -0.001 local terms energy: -26.272415 where: bonds (distance) C4'-P energy: -6.278 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.476 flat angles P-C4'-P energy: -3.779 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: 6, replica: 8 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -42.569454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.569454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.569454 (E_RNA) where: Base-Base interactions energy: -10.081 where: short stacking energy: -10.081 Base-Backbone interact. energy: -0.002 local terms energy: -32.486639 where: bonds (distance) C4'-P energy: -6.067 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -7.240 flat angles P-C4'-P energy: -6.543 tors. eta vs tors. theta energy: -5.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -29.316959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.316959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.316959 (E_RNA) where: Base-Base interactions energy: -3.316 where: short stacking energy: -3.316 Base-Backbone interact. energy: -1.662 local terms energy: -24.338888 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.285 flat angles P-C4'-P energy: -4.996 tors. eta vs tors. theta energy: 1.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -31.746234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.746234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.746234 (E_RNA) where: Base-Base interactions energy: -8.546 where: short stacking energy: -8.546 Base-Backbone interact. energy: -0.255 local terms energy: -22.945419 where: bonds (distance) C4'-P energy: -4.597 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.867 flat angles P-C4'-P energy: -4.348 tors. eta vs tors. theta energy: -0.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -27.164234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.164234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.164234 (E_RNA) where: Base-Base interactions energy: -6.329 where: short stacking energy: -6.329 Base-Backbone interact. energy: -0.071 local terms energy: -20.763887 where: bonds (distance) C4'-P energy: -5.330 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.497 flat angles P-C4'-P energy: -2.865 tors. eta vs tors. theta energy: 0.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -29.993561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.993561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.993561 (E_RNA) where: Base-Base interactions energy: -7.394 where: short stacking energy: -7.394 Base-Backbone interact. energy: -0.129 local terms energy: -22.470066 where: bonds (distance) C4'-P energy: -4.982 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -7.386 flat angles P-C4'-P energy: -2.622 tors. eta vs tors. theta energy: -1.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -38.009976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.009976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.009976 (E_RNA) where: Base-Base interactions energy: -10.083 where: short stacking energy: -10.083 Base-Backbone interact. energy: -0.011 local terms energy: -27.916881 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.925 flat angles P-C4'-P energy: -4.416 tors. eta vs tors. theta energy: -2.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -41.258898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.258898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.258898 (E_RNA) where: Base-Base interactions energy: -13.794 where: short stacking energy: -13.794 Base-Backbone interact. energy: -0.081 local terms energy: -27.383449 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -5.565 flat angles P-C4'-P energy: -5.080 tors. eta vs tors. theta energy: -3.525 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: 6 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -33.027621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.027621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.027621 (E_RNA) where: Base-Base interactions energy: -9.286 where: short stacking energy: -7.511 Base-Backbone interact. energy: -0.004 local terms energy: -23.737262 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.279 flat angles P-C4'-P energy: -3.919 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: 4, replica: 5 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -32.869981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.869981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.869981 (E_RNA) where: Base-Base interactions energy: -11.527 where: short stacking energy: -11.527 Base-Backbone interact. energy: -0.024 local terms energy: -21.318597 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -5.488 flat angles P-C4'-P energy: -3.732 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: 5, replica: 8 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -34.474917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.474917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.474917 (E_RNA) where: Base-Base interactions energy: -11.770 where: short stacking energy: -11.770 Base-Backbone interact. energy: -0.015 local terms energy: -22.689987 where: bonds (distance) C4'-P energy: -3.828 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -4.845 flat angles P-C4'-P energy: -4.686 tors. eta vs tors. theta energy: -2.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -32.921181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.921181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.921181 (E_RNA) where: Base-Base interactions energy: -7.440 where: short stacking energy: -6.532 Base-Backbone interact. energy: -0.023 local terms energy: -25.457911 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.038 flat angles P-C4'-P energy: -4.663 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: 7, replica: 9 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -28.994001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.994001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.994001 (E_RNA) where: Base-Base interactions energy: -7.825 where: short stacking energy: -7.825 Base-Backbone interact. energy: -0.013 local terms energy: -21.155761 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -2.449 flat angles C4'-P-C4' energy: -7.043 flat angles P-C4'-P energy: -4.172 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: 8, replica: 4 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -30.273509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.273509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.273509 (E_RNA) where: Base-Base interactions energy: -6.207 where: short stacking energy: -6.207 Base-Backbone interact. energy: -0.001 local terms energy: -24.065735 where: bonds (distance) C4'-P energy: -5.318 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -3.858 flat angles P-C4'-P energy: -4.845 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: 10 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -31.687333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.687333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.687333 (E_RNA) where: Base-Base interactions energy: -9.605 where: short stacking energy: -9.605 Base-Backbone interact. energy: -0.036 local terms energy: -22.046255 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -5.181 flat angles C4'-P-C4' energy: -4.246 flat angles P-C4'-P energy: -3.726 tors. eta vs tors. theta energy: -3.459 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: 3 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -32.168127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.168127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.168127 (E_RNA) where: Base-Base interactions energy: -10.661 where: short stacking energy: -10.661 Base-Backbone interact. energy: -0.129 local terms energy: -21.378588 where: bonds (distance) C4'-P energy: -6.638 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -3.381 flat angles P-C4'-P energy: -2.488 tors. eta vs tors. theta energy: -3.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -41.227294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.227294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.227294 (E_RNA) where: Base-Base interactions energy: -12.839 where: short stacking energy: -12.839 Base-Backbone interact. energy: -0.000 local terms energy: -28.388521 where: bonds (distance) C4'-P energy: -5.549 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.914 flat angles P-C4'-P energy: -5.932 tors. eta vs tors. theta energy: -3.885 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: 2, replica: 6 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -37.906659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.906659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.906659 (E_RNA) where: Base-Base interactions energy: -11.146 where: short stacking energy: -11.146 Base-Backbone interact. energy: -0.021 local terms energy: -26.739009 where: bonds (distance) C4'-P energy: -6.481 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.634 flat angles P-C4'-P energy: -4.407 tors. eta vs tors. theta energy: -1.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -33.405736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.405736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.405736 (E_RNA) where: Base-Base interactions energy: -9.792 where: short stacking energy: -9.792 Base-Backbone interact. energy: -0.016 local terms energy: -23.597626 where: bonds (distance) C4'-P energy: -5.335 bonds (distance) P-C4' energy: -6.339 flat angles C4'-P-C4' energy: -7.062 flat angles P-C4'-P energy: -4.560 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: 4, replica: 8 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -35.658790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.658790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.658790 (E_RNA) where: Base-Base interactions energy: -11.127 where: short stacking energy: -11.127 Base-Backbone interact. energy: -0.000 local terms energy: -24.532074 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.641 flat angles P-C4'-P energy: -4.819 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: 5, replica: 5 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -34.574866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.574866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.574866 (E_RNA) where: Base-Base interactions energy: -11.611 where: short stacking energy: -11.611 Base-Backbone interact. energy: -0.000 local terms energy: -22.964148 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -3.801 tors. eta vs tors. theta energy: -0.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -34.371975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.371975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.371975 (E_RNA) where: Base-Base interactions energy: -7.180 where: short stacking energy: -7.180 Base-Backbone interact. energy: -0.000 local terms energy: -27.191970 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -5.939 flat angles C4'-P-C4' energy: -6.133 flat angles P-C4'-P energy: -4.410 tors. eta vs tors. theta energy: -3.810 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: 7 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -29.041104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.041104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.041104 (E_RNA) where: Base-Base interactions energy: -6.747 where: short stacking energy: -6.747 Base-Backbone interact. energy: -0.236 local terms energy: -22.058538 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -3.825 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: 8, replica: 10 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -27.669383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.669383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.669383 (E_RNA) where: Base-Base interactions energy: -5.831 where: short stacking energy: -5.831 Base-Backbone interact. energy: -0.000 local terms energy: -21.837619 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.294 flat angles P-C4'-P energy: -3.813 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: 4 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -27.992893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.992893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.992893 (E_RNA) where: Base-Base interactions energy: -6.736 where: short stacking energy: -6.736 Base-Backbone interact. energy: -0.030 local terms energy: -21.227321 where: bonds (distance) C4'-P energy: -6.895 bonds (distance) P-C4' energy: -5.376 flat angles C4'-P-C4' energy: -4.627 flat angles P-C4'-P energy: -4.635 tors. eta vs tors. theta energy: 0.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -31.049903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.049903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.049903 (E_RNA) where: Base-Base interactions energy: -8.768 where: short stacking energy: -7.986 Base-Backbone interact. energy: -0.072 local terms energy: -22.210536 where: bonds (distance) C4'-P energy: -7.032 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -1.920 flat angles P-C4'-P energy: -2.685 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: 1, replica: 2 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -42.304772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.304772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.304772 (E_RNA) where: Base-Base interactions energy: -14.776 where: short stacking energy: -14.776 Base-Backbone interact. energy: -0.000 local terms energy: -27.528821 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.920 flat angles P-C4'-P energy: -4.047 tors. eta vs tors. theta energy: -3.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -33.553835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.553835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.553835 (E_RNA) where: Base-Base interactions energy: -6.990 where: short stacking energy: -6.990 Base-Backbone interact. energy: -0.228 local terms energy: -26.335725 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.578 flat angles P-C4'-P energy: -4.518 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: 3, replica: 8 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -40.105183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.105183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.105183 (E_RNA) where: Base-Base interactions energy: -14.769 where: short stacking energy: -14.769 Base-Backbone interact. energy: -0.011 local terms energy: -25.325257 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -5.545 flat angles P-C4'-P energy: -3.338 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: 1 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -34.723662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.723662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.723662 (E_RNA) where: Base-Base interactions energy: -10.867 where: short stacking energy: -10.867 Base-Backbone interact. energy: -0.104 local terms energy: -23.752347 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -5.769 flat angles P-C4'-P energy: -5.073 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: 5, replica: 5 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -33.201338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.201338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.201338 (E_RNA) where: Base-Base interactions energy: -3.846 where: short stacking energy: -3.846 Base-Backbone interact. energy: -0.063 local terms energy: -29.293062 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.848 flat angles P-C4'-P energy: -4.987 tors. eta vs tors. theta energy: -3.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -34.947354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.947354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.947354 (E_RNA) where: Base-Base interactions energy: -8.876 where: short stacking energy: -8.876 Base-Backbone interact. energy: -0.107 local terms energy: -25.963953 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -5.060 flat angles C4'-P-C4' energy: -6.863 flat angles P-C4'-P energy: -4.795 tors. eta vs tors. theta energy: -2.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -28.368204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.368204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.368204 (E_RNA) where: Base-Base interactions energy: -1.311 where: short stacking energy: -1.311 Base-Backbone interact. energy: 0.606 local terms energy: -27.663607 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.936 flat angles P-C4'-P energy: -4.839 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: 10 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -29.105531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.105531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.105531 (E_RNA) where: Base-Base interactions energy: -3.878 where: short stacking energy: -3.878 Base-Backbone interact. energy: -0.000 local terms energy: -25.227245 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.344 flat angles P-C4'-P energy: -4.389 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: 9, replica: 4 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -32.736706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.736706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.736706 (E_RNA) where: Base-Base interactions energy: -6.621 where: short stacking energy: -6.621 Base-Backbone interact. energy: -0.504 local terms energy: -25.610934 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.599 flat angles P-C4'-P energy: -3.215 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: 10, replica: 3 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -31.559922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.559922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.559922 (E_RNA) where: Base-Base interactions energy: -5.041 where: short stacking energy: -5.041 Base-Backbone interact. energy: -0.000 local terms energy: -26.519199 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -5.290 flat angles C4'-P-C4' energy: -6.170 flat angles P-C4'-P energy: -5.591 tors. eta vs tors. theta energy: -3.886 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: 2 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -33.819300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.819300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.819300 (E_RNA) where: Base-Base interactions energy: -9.011 where: short stacking energy: -9.011 Base-Backbone interact. energy: -0.002 local terms energy: -24.806453 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -5.680 flat angles C4'-P-C4' energy: -5.778 flat angles P-C4'-P energy: -5.306 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: 6 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -32.707372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.707372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.707372 (E_RNA) where: Base-Base interactions energy: -10.824 where: short stacking energy: -10.824 Base-Backbone interact. energy: -0.592 local terms energy: -21.291135 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -5.688 flat angles C4'-P-C4' energy: -0.276 flat angles P-C4'-P energy: -5.310 tors. eta vs tors. theta energy: -2.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -33.836078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.836078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.836078 (E_RNA) where: Base-Base interactions energy: -7.610 where: short stacking energy: -7.610 Base-Backbone interact. energy: -0.005 local terms energy: -26.221331 where: bonds (distance) C4'-P energy: -4.892 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.572 flat angles P-C4'-P energy: -4.754 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: 4, replica: 1 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -39.559087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.559087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.559087 (E_RNA) where: Base-Base interactions energy: -12.442 where: short stacking energy: -11.292 Base-Backbone interact. energy: -0.008 local terms energy: -27.108993 where: bonds (distance) C4'-P energy: -4.410 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.879 flat angles P-C4'-P energy: -6.428 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: 5, replica: 5 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -37.705112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.705112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.705112 (E_RNA) where: Base-Base interactions energy: -10.253 where: short stacking energy: -10.253 Base-Backbone interact. energy: -0.000 local terms energy: -27.451574 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.546 flat angles P-C4'-P energy: -4.774 tors. eta vs tors. theta energy: -3.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -30.891822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.891822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.891822 (E_RNA) where: Base-Base interactions energy: -7.220 where: short stacking energy: -7.220 Base-Backbone interact. energy: -0.724 local terms energy: -22.948333 where: bonds (distance) C4'-P energy: -4.660 bonds (distance) P-C4' energy: -5.964 flat angles C4'-P-C4' energy: -6.203 flat angles P-C4'-P energy: -6.195 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: 7, replica: 9 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -29.724591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.724591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.724591 (E_RNA) where: Base-Base interactions energy: -6.521 where: short stacking energy: -6.521 Base-Backbone interact. energy: -0.001 local terms energy: -23.202695 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.606 flat angles C4'-P-C4' energy: -1.845 flat angles P-C4'-P energy: -5.249 tors. eta vs tors. theta energy: -6.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -30.211544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.211544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.211544 (E_RNA) where: Base-Base interactions energy: -8.036 where: short stacking energy: -8.036 Base-Backbone interact. energy: -0.002 local terms energy: -22.173401 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -3.870 flat angles P-C4'-P energy: -4.204 tors. eta vs tors. theta energy: 0.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -30.416331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.416331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.416331 (E_RNA) where: Base-Base interactions energy: -9.208 where: short stacking energy: -9.208 Base-Backbone interact. energy: -0.000 local terms energy: -21.207823 where: bonds (distance) C4'-P energy: -1.136 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.103 flat angles P-C4'-P energy: -4.286 tors. eta vs tors. theta energy: -3.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -28.149877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.149877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.149877 (E_RNA) where: Base-Base interactions energy: -4.469 where: short stacking energy: -4.469 Base-Backbone interact. energy: 0.288 local terms energy: -23.968243 where: bonds (distance) C4'-P energy: -5.847 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.015 flat angles P-C4'-P energy: -5.109 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: 1, replica: 6 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -36.847371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.847371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.847371 (E_RNA) where: Base-Base interactions energy: -11.898 where: short stacking energy: -11.898 Base-Backbone interact. energy: 1.020 local terms energy: -25.969954 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -7.128 flat angles P-C4'-P energy: -5.074 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: 2, replica: 2 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -35.938295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.938295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.938295 (E_RNA) where: Base-Base interactions energy: -11.357 where: short stacking energy: -11.357 Base-Backbone interact. energy: -0.013 local terms energy: -24.567796 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -5.879 flat angles C4'-P-C4' energy: -6.943 flat angles P-C4'-P energy: -4.693 tors. eta vs tors. theta energy: -1.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -33.990155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.990155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.990155 (E_RNA) where: Base-Base interactions energy: -8.425 where: short stacking energy: -8.425 Base-Backbone interact. energy: -0.073 local terms energy: -25.492152 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.851 flat angles P-C4'-P energy: -4.902 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: 4, replica: 8 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -32.230484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.230484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.230484 (E_RNA) where: Base-Base interactions energy: -7.447 where: short stacking energy: -7.447 Base-Backbone interact. energy: -0.110 local terms energy: -24.673132 where: bonds (distance) C4'-P energy: -5.110 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -5.455 flat angles P-C4'-P energy: -5.567 tors. eta vs tors. theta energy: -1.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -35.200529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.200529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.200529 (E_RNA) where: Base-Base interactions energy: -9.064 where: short stacking energy: -9.064 Base-Backbone interact. energy: -0.002 local terms energy: -26.134975 where: bonds (distance) C4'-P energy: -5.661 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -7.602 flat angles P-C4'-P energy: -4.406 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: 6, replica: 5 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -29.669814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.669814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.669814 (E_RNA) where: Base-Base interactions energy: -7.013 where: short stacking energy: -7.013 Base-Backbone interact. energy: -0.168 local terms energy: -22.489172 where: bonds (distance) C4'-P energy: -6.638 bonds (distance) P-C4' energy: -5.906 flat angles C4'-P-C4' energy: -5.279 flat angles P-C4'-P energy: -5.451 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: 7, replica: 4 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -28.934533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.934533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.934533 (E_RNA) where: Base-Base interactions energy: -7.201 where: short stacking energy: -7.201 Base-Backbone interact. energy: -0.210 local terms energy: -21.523593 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.506 flat angles P-C4'-P energy: -2.655 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: 8, replica: 9 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -36.699493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.699493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.699493 (E_RNA) where: Base-Base interactions energy: -10.322 where: short stacking energy: -10.322 Base-Backbone interact. energy: -0.002 local terms energy: -26.375568 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.057 flat angles P-C4'-P energy: -1.889 tors. eta vs tors. theta energy: -4.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -27.901872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.901872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.901872 (E_RNA) where: Base-Base interactions energy: -6.303 where: short stacking energy: -6.303 Base-Backbone interact. energy: 0.270 local terms energy: -21.868656 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -3.822 flat angles P-C4'-P energy: -3.881 tors. eta vs tors. theta energy: -0.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -28.780903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.780903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.780903 (E_RNA) where: Base-Base interactions energy: -6.830 where: short stacking energy: -6.830 Base-Backbone interact. energy: -0.011 local terms energy: -21.939794 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -6.210 flat angles P-C4'-P energy: -4.164 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: 1, replica: 6 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -41.818811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.818811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.818811 (E_RNA) where: Base-Base interactions energy: -15.600 where: short stacking energy: -15.600 Base-Backbone interact. energy: -0.003 local terms energy: -26.214996 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.365 flat angles P-C4'-P energy: -4.806 tors. eta vs tors. theta energy: -2.708 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: 2 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -39.434264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.434264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.434264 (E_RNA) where: Base-Base interactions energy: -11.838 where: short stacking energy: -11.838 Base-Backbone interact. energy: -0.063 local terms energy: -27.533504 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.121 flat angles P-C4'-P energy: -4.918 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: 3, replica: 1 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -30.126547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.126547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.126547 (E_RNA) where: Base-Base interactions energy: -9.197 where: short stacking energy: -9.197 Base-Backbone interact. energy: -0.009 local terms energy: -20.919635 where: bonds (distance) C4'-P energy: -4.677 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -4.067 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: 4, replica: 8 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -38.361706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.361706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.361706 (E_RNA) where: Base-Base interactions energy: -15.838 where: short stacking energy: -15.838 Base-Backbone interact. energy: -0.007 local terms energy: -22.516887 where: bonds (distance) C4'-P energy: -4.660 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -5.194 flat angles P-C4'-P energy: -3.823 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: 5, replica: 7 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -35.321139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.321139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.321139 (E_RNA) where: Base-Base interactions energy: -10.978 where: short stacking energy: -10.978 Base-Backbone interact. energy: -0.119 local terms energy: -24.223954 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.330 flat angles C4'-P-C4' energy: -5.999 flat angles P-C4'-P energy: -3.705 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: 6, replica: 5 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -32.243763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.243763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.243763 (E_RNA) where: Base-Base interactions energy: -9.354 where: short stacking energy: -9.354 Base-Backbone interact. energy: -0.459 local terms energy: -22.430877 where: bonds (distance) C4'-P energy: -3.977 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.505 flat angles P-C4'-P energy: -5.642 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: 7, replica: 4 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -32.250867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.250867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.250867 (E_RNA) where: Base-Base interactions energy: -9.176 where: short stacking energy: -9.176 Base-Backbone interact. energy: 0.812 local terms energy: -23.887315 where: bonds (distance) C4'-P energy: -5.902 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -5.182 flat angles P-C4'-P energy: -3.978 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: 8, replica: 3 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -30.634411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.634411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.634411 (E_RNA) where: Base-Base interactions energy: -8.684 where: short stacking energy: -8.684 Base-Backbone interact. energy: -0.001 local terms energy: -21.949822 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.550 flat angles P-C4'-P energy: -0.907 tors. eta vs tors. theta energy: -1.526 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: 229 Temperature: 1.300000 Total energy: -30.137952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.137952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.137952 (E_RNA) where: Base-Base interactions energy: -7.415 where: short stacking energy: -7.459 Base-Backbone interact. energy: -0.071 local terms energy: -22.651504 where: bonds (distance) C4'-P energy: -5.032 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -6.182 flat angles P-C4'-P energy: -4.147 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: 10 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -28.447840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.447840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.447840 (E_RNA) where: Base-Base interactions energy: -7.138 where: short stacking energy: -6.986 Base-Backbone interact. energy: -0.056 local terms energy: -21.253794 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -3.434 flat angles P-C4'-P energy: -3.614 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: 1, replica: 6 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -40.751503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.751503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.751503 (E_RNA) where: Base-Base interactions energy: -16.453 where: short stacking energy: -16.453 Base-Backbone interact. energy: -0.002 local terms energy: -24.296899 where: bonds (distance) C4'-P energy: -4.766 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -2.205 flat angles P-C4'-P energy: -5.704 tors. eta vs tors. theta energy: -5.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -31.079771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.079771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.079771 (E_RNA) where: Base-Base interactions energy: -8.283 where: short stacking energy: -8.283 Base-Backbone interact. energy: -0.089 local terms energy: -22.707165 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.518 flat angles P-C4'-P energy: -3.461 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: 3, replica: 8 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -37.140772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.140772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.140772 (E_RNA) where: Base-Base interactions energy: -9.117 where: short stacking energy: -9.117 Base-Backbone interact. energy: -0.000 local terms energy: -28.024219 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -5.112 flat angles P-C4'-P energy: -5.856 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: 1 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -34.019878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.019878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.019878 (E_RNA) where: Base-Base interactions energy: -7.167 where: short stacking energy: -7.167 Base-Backbone interact. energy: -0.035 local terms energy: -26.818680 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.951 flat angles P-C4'-P energy: -3.980 tors. eta vs tors. theta energy: -1.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -36.044144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.044144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.044144 (E_RNA) where: Base-Base interactions energy: -7.459 where: short stacking energy: -7.459 Base-Backbone interact. energy: -0.019 local terms energy: -28.566888 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -5.223 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: 6, replica: 7 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -30.672931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.672931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.672931 (E_RNA) where: Base-Base interactions energy: -6.613 where: short stacking energy: -6.613 Base-Backbone interact. energy: -0.001 local terms energy: -24.058004 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.519 flat angles C4'-P-C4' energy: -4.433 flat angles P-C4'-P energy: -3.304 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: 7, replica: 4 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -29.648734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.648734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.648734 (E_RNA) where: Base-Base interactions energy: -3.731 where: short stacking energy: -3.731 Base-Backbone interact. energy: -0.055 local terms energy: -25.862650 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -7.097 flat angles P-C4'-P energy: -3.654 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: 3 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -31.542786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.542786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.542786 (E_RNA) where: Base-Base interactions energy: -7.502 where: short stacking energy: -6.123 Base-Backbone interact. energy: -0.002 local terms energy: -24.038762 where: bonds (distance) C4'-P energy: -5.752 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.154 flat angles P-C4'-P energy: -4.296 tors. eta vs tors. theta energy: -2.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -35.903524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.903524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.903524 (E_RNA) where: Base-Base interactions energy: -13.321 where: short stacking energy: -13.321 Base-Backbone interact. energy: -0.026 local terms energy: -22.555771 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -4.470 flat angles C4'-P-C4' energy: -5.270 flat angles P-C4'-P energy: -4.967 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: 10, replica: 9 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -28.916195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.916195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.916195 (E_RNA) where: Base-Base interactions energy: -6.677 where: short stacking energy: -6.677 Base-Backbone interact. energy: -0.097 local terms energy: -22.142753 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.707 flat angles P-C4'-P energy: -0.341 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: 1, replica: 6 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -40.348667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.348667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.348667 (E_RNA) where: Base-Base interactions energy: -12.141 where: short stacking energy: -12.141 Base-Backbone interact. energy: -0.000 local terms energy: -28.207724 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -4.350 tors. eta vs tors. theta energy: -4.387 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: 8 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -42.793047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.793047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.793047 (E_RNA) where: Base-Base interactions energy: -14.066 where: short stacking energy: -14.066 Base-Backbone interact. energy: -0.000 local terms energy: -28.726884 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -5.898 flat angles P-C4'-P energy: -4.781 tors. eta vs tors. theta energy: -3.779 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: 2 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -34.088625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.088625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.088625 (E_RNA) where: Base-Base interactions energy: -7.989 where: short stacking energy: -7.989 Base-Backbone interact. energy: -0.004 local terms energy: -26.094998 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.689 flat angles P-C4'-P energy: -4.795 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: 4, replica: 5 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -38.917291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.917291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.917291 (E_RNA) where: Base-Base interactions energy: -16.189 where: short stacking energy: -16.189 Base-Backbone interact. energy: -0.094 local terms energy: -22.633932 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.318 flat angles P-C4'-P energy: -3.742 tors. eta vs tors. theta energy: 0.010 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: 1 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -32.594421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.594421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.594421 (E_RNA) where: Base-Base interactions energy: -11.133 where: short stacking energy: -11.133 Base-Backbone interact. energy: -0.033 local terms energy: -21.428338 where: bonds (distance) C4'-P energy: -1.782 bonds (distance) P-C4' energy: -6.762 flat angles C4'-P-C4' energy: -6.046 flat angles P-C4'-P energy: -3.987 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: 6, replica: 4 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -30.871842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.871842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.871842 (E_RNA) where: Base-Base interactions energy: -6.503 where: short stacking energy: -6.503 Base-Backbone interact. energy: -0.118 local terms energy: -24.250749 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -5.803 flat angles P-C4'-P energy: -5.159 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: 7, replica: 7 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -30.512270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.512270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.512270 (E_RNA) where: Base-Base interactions energy: -7.169 where: short stacking energy: -7.169 Base-Backbone interact. energy: -0.202 local terms energy: -23.141753 where: bonds (distance) C4'-P energy: -4.167 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -7.131 flat angles P-C4'-P energy: -3.217 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: 8, replica: 10 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -29.263149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.263149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.263149 (E_RNA) where: Base-Base interactions energy: -6.073 where: short stacking energy: -6.073 Base-Backbone interact. energy: -0.099 local terms energy: -23.091862 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.640 flat angles P-C4'-P energy: -2.198 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: 3 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -29.415208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.415208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.415208 (E_RNA) where: Base-Base interactions energy: -7.322 where: short stacking energy: -7.322 Base-Backbone interact. energy: 2.156 local terms energy: -24.249916 where: bonds (distance) C4'-P energy: -5.085 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.967 flat angles P-C4'-P energy: -3.536 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: 9 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -29.850911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.850911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.850911 (E_RNA) where: Base-Base interactions energy: -5.968 where: short stacking energy: -5.968 Base-Backbone interact. energy: -0.004 local terms energy: -23.878406 where: bonds (distance) C4'-P energy: -5.711 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -5.690 flat angles P-C4'-P energy: -4.069 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: 8 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -40.679432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.679432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.679432 (E_RNA) where: Base-Base interactions energy: -14.897 where: short stacking energy: -14.897 Base-Backbone interact. energy: -0.002 local terms energy: -25.780586 where: bonds (distance) C4'-P energy: -6.089 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -5.776 flat angles P-C4'-P energy: -5.457 tors. eta vs tors. theta energy: -1.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -36.503144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.503144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.503144 (E_RNA) where: Base-Base interactions energy: -12.198 where: short stacking energy: -12.198 Base-Backbone interact. energy: -0.021 local terms energy: -24.284109 where: bonds (distance) C4'-P energy: -3.719 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -4.966 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: 3, replica: 5 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -35.784235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.784235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.784235 (E_RNA) where: Base-Base interactions energy: -6.295 where: short stacking energy: -6.295 Base-Backbone interact. energy: -0.046 local terms energy: -29.442763 where: bonds (distance) C4'-P energy: -6.825 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.093 flat angles P-C4'-P energy: -5.434 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: 4, replica: 2 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -34.469162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.469162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.469162 (E_RNA) where: Base-Base interactions energy: -11.306 where: short stacking energy: -11.306 Base-Backbone interact. energy: -0.117 local terms energy: -23.046553 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -4.740 flat angles C4'-P-C4' energy: -5.472 flat angles P-C4'-P energy: -4.925 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: 5, replica: 4 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -34.001451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.001451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.001451 (E_RNA) where: Base-Base interactions energy: -5.881 where: short stacking energy: -5.881 Base-Backbone interact. energy: -0.042 local terms energy: -28.078545 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.572 flat angles P-C4'-P energy: -2.590 tors. eta vs tors. theta energy: -5.072 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: 1 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -33.530158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.530158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.530158 (E_RNA) where: Base-Base interactions energy: -7.346 where: short stacking energy: -7.346 Base-Backbone interact. energy: -0.073 local terms energy: -26.110999 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.672 flat angles P-C4'-P energy: -1.673 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: 7, replica: 10 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -30.079058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.079058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.079058 (E_RNA) where: Base-Base interactions energy: -5.160 where: short stacking energy: -4.386 Base-Backbone interact. energy: -0.509 local terms energy: -24.409374 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -6.718 flat angles C4'-P-C4' energy: -6.166 flat angles P-C4'-P energy: -4.851 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: 8, replica: 7 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -29.484817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.484817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.484817 (E_RNA) where: Base-Base interactions energy: -5.321 where: short stacking energy: -4.251 Base-Backbone interact. energy: -0.057 local terms energy: -24.106629 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -3.561 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: 9, replica: 9 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -30.420226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.420226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.420226 (E_RNA) where: Base-Base interactions energy: -8.554 where: short stacking energy: -8.554 Base-Backbone interact. energy: -0.000 local terms energy: -21.866651 where: bonds (distance) C4'-P energy: -1.261 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -3.391 flat angles P-C4'-P energy: -5.265 tors. eta vs tors. theta energy: -4.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -28.439903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.439903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.439903 (E_RNA) where: Base-Base interactions energy: -3.698 where: short stacking energy: -3.698 Base-Backbone interact. energy: -0.111 local terms energy: -24.630845 where: bonds (distance) C4'-P energy: -6.845 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.907 flat angles P-C4'-P energy: -5.325 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: 8 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -43.575603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.575603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.575603 (E_RNA) where: Base-Base interactions energy: -12.021 where: short stacking energy: -11.561 Base-Backbone interact. energy: -0.002 local terms energy: -31.552455 where: bonds (distance) C4'-P energy: -4.697 bonds (distance) P-C4' energy: -6.569 flat angles C4'-P-C4' energy: -7.533 flat angles P-C4'-P energy: -6.196 tors. eta vs tors. theta energy: -6.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -40.834662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.834662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.834662 (E_RNA) where: Base-Base interactions energy: -15.036 where: short stacking energy: -15.036 Base-Backbone interact. energy: -0.001 local terms energy: -25.797649 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -7.068 flat angles P-C4'-P energy: -2.115 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: 3, replica: 6 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -31.185241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.185241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.185241 (E_RNA) where: Base-Base interactions energy: -5.506 where: short stacking energy: -3.363 Base-Backbone interact. energy: -0.101 local terms energy: -25.578572 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.740 flat angles P-C4'-P energy: -6.240 tors. eta vs tors. theta energy: 1.346 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: 4 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -38.669249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.669249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.669249 (E_RNA) where: Base-Base interactions energy: -10.026 where: short stacking energy: -10.026 Base-Backbone interact. energy: -0.000 local terms energy: -28.643074 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -7.287 flat angles P-C4'-P energy: -4.403 tors. eta vs tors. theta energy: -5.596 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: 2 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -29.855483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.855483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.855483 (E_RNA) where: Base-Base interactions energy: -7.402 where: short stacking energy: -7.402 Base-Backbone interact. energy: -0.004 local terms energy: -22.449469 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.374 flat angles P-C4'-P energy: -3.116 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: 6, replica: 10 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -33.999085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.999085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.999085 (E_RNA) where: Base-Base interactions energy: -9.232 where: short stacking energy: -9.232 Base-Backbone interact. energy: -0.000 local terms energy: -24.766776 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.968 flat angles P-C4'-P energy: -2.396 tors. eta vs tors. theta energy: -1.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -33.888148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.888148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.888148 (E_RNA) where: Base-Base interactions energy: -12.082 where: short stacking energy: -12.082 Base-Backbone interact. energy: -0.014 local terms energy: -21.792179 where: bonds (distance) C4'-P energy: -5.131 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -3.584 flat angles P-C4'-P energy: -2.891 tors. eta vs tors. theta energy: -2.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -28.977534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.977534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.977534 (E_RNA) where: Base-Base interactions energy: -5.416 where: short stacking energy: -5.716 Base-Backbone interact. energy: -0.139 local terms energy: -23.422713 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -7.224 flat angles P-C4'-P energy: -3.027 tors. eta vs tors. theta energy: 0.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -28.785952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.785952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.785952 (E_RNA) where: Base-Base interactions energy: -7.657 where: short stacking energy: -7.573 Base-Backbone interact. energy: 1.378 local terms energy: -22.506633 where: bonds (distance) C4'-P energy: -4.706 bonds (distance) P-C4' energy: -6.566 flat angles C4'-P-C4' energy: -6.995 flat angles P-C4'-P energy: -4.087 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: 3 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -26.387823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.387823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.387823 (E_RNA) where: Base-Base interactions energy: -3.945 where: short stacking energy: -3.945 Base-Backbone interact. energy: -0.060 local terms energy: -22.382526 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -4.286 flat angles P-C4'-P energy: -1.417 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: 1, replica: 5 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -40.250689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.250689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.250689 (E_RNA) where: Base-Base interactions energy: -12.266 where: short stacking energy: -12.266 Base-Backbone interact. energy: -0.034 local terms energy: -27.950625 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.732 flat angles P-C4'-P energy: -5.326 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: 2, replica: 8 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -35.629828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.629828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.629828 (E_RNA) where: Base-Base interactions energy: -11.521 where: short stacking energy: -7.832 Base-Backbone interact. energy: -0.111 local terms energy: -23.997110 where: bonds (distance) C4'-P energy: -5.078 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.192 flat angles P-C4'-P energy: -4.392 tors. eta vs tors. theta energy: -1.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -32.657703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.657703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.657703 (E_RNA) where: Base-Base interactions energy: -10.696 where: short stacking energy: -7.308 Base-Backbone interact. energy: -0.207 local terms energy: -21.754511 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.810 flat angles P-C4'-P energy: -4.161 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: 4, replica: 6 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -36.556425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.556425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.556425 (E_RNA) where: Base-Base interactions energy: -12.184 where: short stacking energy: -12.184 Base-Backbone interact. energy: -0.011 local terms energy: -24.361797 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.881 flat angles P-C4'-P energy: -4.094 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: 5, replica: 10 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -28.087637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.087637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.087637 (E_RNA) where: Base-Base interactions energy: -7.585 where: short stacking energy: -7.585 Base-Backbone interact. energy: -0.010 local terms energy: -20.492984 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -4.026 flat angles P-C4'-P energy: -4.346 tors. eta vs tors. theta energy: 0.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -37.651506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.651506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.651506 (E_RNA) where: Base-Base interactions energy: -12.174 where: short stacking energy: -12.174 Base-Backbone interact. energy: -0.000 local terms energy: -25.477144 where: bonds (distance) C4'-P energy: -5.310 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -5.960 flat angles P-C4'-P energy: -5.493 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: 7, replica: 1 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -33.470316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.470316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.470316 (E_RNA) where: Base-Base interactions energy: -10.714 where: short stacking energy: -10.714 Base-Backbone interact. energy: -0.311 local terms energy: -22.444583 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -3.879 flat angles P-C4'-P energy: -2.824 tors. eta vs tors. theta energy: -2.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -29.958707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.958707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.958707 (E_RNA) where: Base-Base interactions energy: -4.220 where: short stacking energy: -4.220 Base-Backbone interact. energy: -0.009 local terms energy: -25.730405 where: bonds (distance) C4'-P energy: -4.892 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -7.263 flat angles P-C4'-P energy: -6.049 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: 9, replica: 3 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -32.359075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.359075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.359075 (E_RNA) where: Base-Base interactions energy: -6.737 where: short stacking energy: -6.737 Base-Backbone interact. energy: -0.000 local terms energy: -25.621646 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -6.958 flat angles P-C4'-P energy: -4.690 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: 10, replica: 7 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -27.310644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.310644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.310644 (E_RNA) where: Base-Base interactions energy: -4.016 where: short stacking energy: -4.016 Base-Backbone interact. energy: -0.000 local terms energy: -23.294486 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -3.383 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: 1, replica: 5 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -33.608572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.608572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.608572 (E_RNA) where: Base-Base interactions energy: -9.718 where: short stacking energy: -9.718 Base-Backbone interact. energy: -0.013 local terms energy: -23.878152 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -7.088 flat angles P-C4'-P energy: -4.906 tors. eta vs tors. theta energy: -0.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -36.613955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.613955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.613955 (E_RNA) where: Base-Base interactions energy: -10.346 where: short stacking energy: -10.346 Base-Backbone interact. energy: -0.000 local terms energy: -26.267306 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.895 flat angles P-C4'-P energy: -4.320 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: 3, replica: 4 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -33.642222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.642222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.642222 (E_RNA) where: Base-Base interactions energy: -9.230 where: short stacking energy: -9.230 Base-Backbone interact. energy: -0.000 local terms energy: -24.412348 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.053 flat angles P-C4'-P energy: -3.100 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: 4, replica: 10 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -32.914268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.914268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.914268 (E_RNA) where: Base-Base interactions energy: -6.023 where: short stacking energy: -6.023 Base-Backbone interact. energy: -0.025 local terms energy: -26.866022 where: bonds (distance) C4'-P energy: -7.549 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.356 flat angles P-C4'-P energy: -4.080 tors. eta vs tors. theta energy: -1.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -32.812062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.812062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.812062 (E_RNA) where: Base-Base interactions energy: -7.375 where: short stacking energy: -7.375 Base-Backbone interact. energy: -0.165 local terms energy: -25.272418 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.701 flat angles P-C4'-P energy: -5.655 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: 6, replica: 1 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -35.682645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.682645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.682645 (E_RNA) where: Base-Base interactions energy: -12.082 where: short stacking energy: -12.082 Base-Backbone interact. energy: -0.022 local terms energy: -23.578138 where: bonds (distance) C4'-P energy: -6.887 bonds (distance) P-C4' energy: -6.075 flat angles C4'-P-C4' energy: -5.736 flat angles P-C4'-P energy: -2.356 tors. eta vs tors. theta energy: -2.525 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: 2 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -32.446458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.446458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.446458 (E_RNA) where: Base-Base interactions energy: -7.385 where: short stacking energy: -7.362 Base-Backbone interact. energy: -0.099 local terms energy: -24.962245 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -5.327 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: 8, replica: 3 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -30.864030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.864030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.864030 (E_RNA) where: Base-Base interactions energy: -7.148 where: short stacking energy: -7.148 Base-Backbone interact. energy: -0.542 local terms energy: -23.173688 where: bonds (distance) C4'-P energy: -3.588 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.332 flat angles P-C4'-P energy: -5.992 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: 9, replica: 9 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -27.634753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.634753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.634753 (E_RNA) where: Base-Base interactions energy: -7.979 where: short stacking energy: -7.979 Base-Backbone interact. energy: 0.187 local terms energy: -19.843144 where: bonds (distance) C4'-P energy: -4.954 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -3.426 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: 10, replica: 7 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -26.164426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.164426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.164426 (E_RNA) where: Base-Base interactions energy: -4.425 where: short stacking energy: -4.425 Base-Backbone interact. energy: -0.018 local terms energy: -21.721451 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.326 flat angles C4'-P-C4' energy: -6.096 flat angles P-C4'-P energy: -3.694 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: 8 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -38.384849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.384849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.384849 (E_RNA) where: Base-Base interactions energy: -11.856 where: short stacking energy: -11.856 Base-Backbone interact. energy: -0.002 local terms energy: -26.527082 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.481 flat angles P-C4'-P energy: -4.543 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: 2, replica: 5 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -44.115182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.115182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.115182 (E_RNA) where: Base-Base interactions energy: -14.750 where: short stacking energy: -14.750 Base-Backbone interact. energy: -0.001 local terms energy: -29.364684 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.310 flat angles P-C4'-P energy: -4.493 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: 236 Temperature: 1.000000 Total energy: -40.305778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.305778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.305778 (E_RNA) where: Base-Base interactions energy: -11.165 where: short stacking energy: -11.165 Base-Backbone interact. energy: -0.101 local terms energy: -29.039313 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.526 flat angles P-C4'-P energy: -5.634 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: 4, replica: 4 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -38.288737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.288737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.288737 (E_RNA) where: Base-Base interactions energy: -15.890 where: short stacking energy: -15.890 Base-Backbone interact. energy: -0.089 local terms energy: -22.309874 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -6.290 flat angles C4'-P-C4' energy: -5.875 flat angles P-C4'-P energy: -3.636 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: 5, replica: 1 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -39.048398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.048398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.048398 (E_RNA) where: Base-Base interactions energy: -9.953 where: short stacking energy: -9.953 Base-Backbone interact. energy: -0.000 local terms energy: -29.095293 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -4.141 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: -7.458 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: 6 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -32.445306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.445306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.445306 (E_RNA) where: Base-Base interactions energy: -6.997 where: short stacking energy: -6.997 Base-Backbone interact. energy: -0.173 local terms energy: -25.275681 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.266 flat angles P-C4'-P energy: -5.879 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: 7, replica: 3 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -29.457579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.457579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.457579 (E_RNA) where: Base-Base interactions energy: -8.503 where: short stacking energy: -8.503 Base-Backbone interact. energy: -0.158 local terms energy: -20.796733 where: bonds (distance) C4'-P energy: -5.894 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -4.560 flat angles P-C4'-P energy: -4.719 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: 8, replica: 2 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -28.987362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.987362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.987362 (E_RNA) where: Base-Base interactions energy: -4.444 where: short stacking energy: -4.444 Base-Backbone interact. energy: -0.094 local terms energy: -24.449057 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.168 flat angles P-C4'-P energy: -4.395 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: 9, replica: 7 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -28.738282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.738282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.738282 (E_RNA) where: Base-Base interactions energy: -6.860 where: short stacking energy: -6.860 Base-Backbone interact. energy: -0.164 local terms energy: -21.714187 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -3.977 flat angles P-C4'-P energy: -4.322 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: 10, replica: 9 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -30.476152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.476152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.476152 (E_RNA) where: Base-Base interactions energy: -8.285 where: short stacking energy: -8.285 Base-Backbone interact. energy: -0.002 local terms energy: -22.189205 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -2.992 flat angles P-C4'-P energy: -4.133 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: 8 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -40.528548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.528548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.528548 (E_RNA) where: Base-Base interactions energy: -13.890 where: short stacking energy: -13.890 Base-Backbone interact. energy: -0.048 local terms energy: -26.590524 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.637 flat angles P-C4'-P energy: -4.065 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: 2, replica: 10 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -34.913583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.913583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.913583 (E_RNA) where: Base-Base interactions energy: -10.790 where: short stacking energy: -10.790 Base-Backbone interact. energy: -0.061 local terms energy: -24.063006 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -5.646 flat angles C4'-P-C4' energy: -6.307 flat angles P-C4'-P energy: -3.790 tors. eta vs tors. theta energy: -2.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -34.513245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.513245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.513245 (E_RNA) where: Base-Base interactions energy: -8.458 where: short stacking energy: -8.458 Base-Backbone interact. energy: -0.107 local terms energy: -25.948362 where: bonds (distance) C4'-P energy: -4.783 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.393 flat angles P-C4'-P energy: -5.152 tors. eta vs tors. theta energy: -2.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -36.976336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.976336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.976336 (E_RNA) where: Base-Base interactions energy: -12.382 where: short stacking energy: -12.382 Base-Backbone interact. energy: -0.003 local terms energy: -24.591718 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -4.799 flat angles C4'-P-C4' energy: -5.713 flat angles P-C4'-P energy: -3.873 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: 5, replica: 1 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -32.928287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.928287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.928287 (E_RNA) where: Base-Base interactions energy: -9.089 where: short stacking energy: -9.089 Base-Backbone interact. energy: 0.307 local terms energy: -24.146145 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.088 flat angles P-C4'-P energy: -5.796 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: 6, replica: 3 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -30.318637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.318637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.318637 (E_RNA) where: Base-Base interactions energy: -8.285 where: short stacking energy: -8.285 Base-Backbone interact. energy: -0.070 local terms energy: -21.963413 where: bonds (distance) C4'-P energy: -5.607 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -4.793 flat angles P-C4'-P energy: -4.543 tors. eta vs tors. theta energy: 0.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -31.955377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.955377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.955377 (E_RNA) where: Base-Base interactions energy: -6.783 where: short stacking energy: -6.783 Base-Backbone interact. energy: -0.000 local terms energy: -25.171874 where: bonds (distance) C4'-P energy: -6.394 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -7.433 flat angles P-C4'-P energy: -3.829 tors. eta vs tors. theta energy: -1.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -32.825232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.825232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.825232 (E_RNA) where: Base-Base interactions energy: -8.120 where: short stacking energy: -8.120 Base-Backbone interact. energy: -0.000 local terms energy: -24.705358 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.148 flat angles P-C4'-P energy: -1.754 tors. eta vs tors. theta energy: -4.162 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: 9, replica: 2 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -26.693255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.693255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.693255 (E_RNA) where: Base-Base interactions energy: -6.097 where: short stacking energy: -6.097 Base-Backbone interact. energy: 0.733 local terms energy: -21.329575 where: bonds (distance) C4'-P energy: -5.596 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.607 flat angles P-C4'-P energy: -5.398 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: 10, replica: 9 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -27.995741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.995741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.995741 (E_RNA) where: Base-Base interactions energy: -4.361 where: short stacking energy: -4.361 Base-Backbone interact. energy: -0.002 local terms energy: -23.632844 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -3.878 flat angles C4'-P-C4' energy: -5.127 flat angles P-C4'-P energy: -5.346 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: 10 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -41.464065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.464065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.464065 (E_RNA) where: Base-Base interactions energy: -12.909 where: short stacking energy: -12.909 Base-Backbone interact. energy: -0.019 local terms energy: -28.536611 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.991 flat angles P-C4'-P energy: -4.614 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: 8 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -33.631810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.631810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.631810 (E_RNA) where: Base-Base interactions energy: -9.536 where: short stacking energy: -9.536 Base-Backbone interact. energy: -0.186 local terms energy: -23.909295 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -6.265 flat angles C4'-P-C4' energy: -5.282 flat angles P-C4'-P energy: -4.598 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: 3, replica: 4 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -34.574356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.574356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.574356 (E_RNA) where: Base-Base interactions energy: -10.178 where: short stacking energy: -10.178 Base-Backbone interact. energy: -0.000 local terms energy: -24.395584 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -6.073 flat angles P-C4'-P energy: -3.299 tors. eta vs tors. theta energy: -1.798 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: 5 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -33.593287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.593287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.593287 (E_RNA) where: Base-Base interactions energy: -4.590 where: short stacking energy: -4.057 Base-Backbone interact. energy: -0.087 local terms energy: -28.915497 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.806 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -5.584 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: 5, replica: 1 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -35.256334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.256334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.256334 (E_RNA) where: Base-Base interactions energy: -9.311 where: short stacking energy: -9.311 Base-Backbone interact. energy: -0.002 local terms energy: -25.943750 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -6.318 flat angles P-C4'-P energy: -3.144 tors. eta vs tors. theta energy: -3.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -30.961636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.961636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.961636 (E_RNA) where: Base-Base interactions energy: -7.983 where: short stacking energy: -7.983 Base-Backbone interact. energy: -0.006 local terms energy: -22.972505 where: bonds (distance) C4'-P energy: -6.572 bonds (distance) P-C4' energy: -6.069 flat angles C4'-P-C4' energy: -4.053 flat angles P-C4'-P energy: -4.620 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: 7, replica: 6 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -34.662178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.662178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.662178 (E_RNA) where: Base-Base interactions energy: -8.885 where: short stacking energy: -8.885 Base-Backbone interact. energy: -0.012 local terms energy: -25.764709 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.797 flat angles P-C4'-P energy: -4.393 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: 8, replica: 7 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -40.556238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.556238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.556238 (E_RNA) where: Base-Base interactions energy: -11.531 where: short stacking energy: -11.531 Base-Backbone interact. energy: -0.009 local terms energy: -29.015616 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.290 flat angles P-C4'-P energy: -6.192 tors. eta vs tors. theta energy: -3.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -27.950264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.950264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.950264 (E_RNA) where: Base-Base interactions energy: -9.803 where: short stacking energy: -9.803 Base-Backbone interact. energy: -0.034 local terms energy: -18.113036 where: bonds (distance) C4'-P energy: -4.085 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.934 flat angles P-C4'-P energy: -0.660 tors. eta vs tors. theta energy: -0.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -27.395582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.395582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.395582 (E_RNA) where: Base-Base interactions energy: -6.282 where: short stacking energy: -6.282 Base-Backbone interact. energy: -0.050 local terms energy: -21.063527 where: bonds (distance) C4'-P energy: -4.945 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.110 flat angles P-C4'-P energy: -3.693 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: 10 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -39.286862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.286862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.286862 (E_RNA) where: Base-Base interactions energy: -9.916 where: short stacking energy: -9.916 Base-Backbone interact. energy: -2.889 local terms energy: -26.481394 where: bonds (distance) C4'-P energy: -4.904 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.266 flat angles P-C4'-P energy: -3.869 tors. eta vs tors. theta energy: -4.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -44.515136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.515136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.515136 (E_RNA) where: Base-Base interactions energy: -13.973 where: short stacking energy: -13.973 Base-Backbone interact. energy: -0.000 local terms energy: -30.542162 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.240 flat angles P-C4'-P energy: -5.219 tors. eta vs tors. theta energy: -4.232 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: 3, replica: 8 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -34.539874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.539874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.539874 (E_RNA) where: Base-Base interactions energy: -11.421 where: short stacking energy: -6.996 Base-Backbone interact. energy: -0.034 local terms energy: -23.084739 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.830 flat angles P-C4'-P energy: -1.711 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: 4, replica: 5 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -30.314811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.314811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.314811 (E_RNA) where: Base-Base interactions energy: -6.727 where: short stacking energy: -6.727 Base-Backbone interact. energy: -0.051 local terms energy: -23.536784 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.398 flat angles P-C4'-P energy: -4.788 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: 5, replica: 1 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -31.611684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.611684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.611684 (E_RNA) where: Base-Base interactions energy: -6.186 where: short stacking energy: -5.521 Base-Backbone interact. energy: -0.033 local terms energy: -25.392868 where: bonds (distance) C4'-P energy: -5.007 bonds (distance) P-C4' energy: -5.296 flat angles C4'-P-C4' energy: -4.659 flat angles P-C4'-P energy: -6.007 tors. eta vs tors. theta energy: -4.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -34.053894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.053894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.053894 (E_RNA) where: Base-Base interactions energy: -10.018 where: short stacking energy: -10.018 Base-Backbone interact. energy: -0.006 local terms energy: -24.029675 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.812 flat angles P-C4'-P energy: -3.900 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: 3 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -29.749233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.749233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.749233 (E_RNA) where: Base-Base interactions energy: -6.163 where: short stacking energy: -6.163 Base-Backbone interact. energy: -0.013 local terms energy: -23.573318 where: bonds (distance) C4'-P energy: -5.819 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.378 flat angles P-C4'-P energy: -2.667 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: 8, replica: 9 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -31.396669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.396669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.396669 (E_RNA) where: Base-Base interactions energy: -7.113 where: short stacking energy: -5.138 Base-Backbone interact. energy: -0.011 local terms energy: -24.272687 where: bonds (distance) C4'-P energy: -5.152 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -5.751 flat angles P-C4'-P energy: -4.178 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: 9, replica: 7 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -30.531497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.531497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.531497 (E_RNA) where: Base-Base interactions energy: -7.961 where: short stacking energy: -7.961 Base-Backbone interact. energy: -0.678 local terms energy: -21.892384 where: bonds (distance) C4'-P energy: -4.813 bonds (distance) P-C4' energy: -6.091 flat angles C4'-P-C4' energy: -6.848 flat angles P-C4'-P energy: -4.015 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: 10, replica: 2 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -29.504509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.504509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.504509 (E_RNA) where: Base-Base interactions energy: -4.585 where: short stacking energy: -3.487 Base-Backbone interact. energy: -0.035 local terms energy: -24.884960 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -6.986 flat angles P-C4'-P energy: -3.331 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: 1, replica: 4 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -38.279026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.279026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.279026 (E_RNA) where: Base-Base interactions energy: -14.148 where: short stacking energy: -14.148 Base-Backbone interact. energy: -0.019 local terms energy: -24.111848 where: bonds (distance) C4'-P energy: -4.660 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -4.847 tors. eta vs tors. theta energy: -2.295 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: 10 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -36.563111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.563111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.563111 (E_RNA) where: Base-Base interactions energy: -10.557 where: short stacking energy: -10.557 Base-Backbone interact. energy: -0.005 local terms energy: -26.000719 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -7.101 flat angles P-C4'-P energy: -3.495 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: 3, replica: 5 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -35.669526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.669526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.669526 (E_RNA) where: Base-Base interactions energy: -8.242 where: short stacking energy: -8.242 Base-Backbone interact. energy: -0.099 local terms energy: -27.328309 where: bonds (distance) C4'-P energy: -6.025 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.095 flat angles P-C4'-P energy: -5.235 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: 4, replica: 8 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -34.619512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.619512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.619512 (E_RNA) where: Base-Base interactions energy: -7.136 where: short stacking energy: -7.136 Base-Backbone interact. energy: -0.000 local terms energy: -27.483624 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -6.414 flat angles P-C4'-P energy: -3.544 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: 5, replica: 6 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -37.852322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.852322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.852322 (E_RNA) where: Base-Base interactions energy: -8.927 where: short stacking energy: -8.927 Base-Backbone interact. energy: -0.000 local terms energy: -28.925571 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -7.167 flat angles P-C4'-P energy: -4.664 tors. eta vs tors. theta energy: -3.038 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: 6, replica: 1 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -34.148870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.148870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.148870 (E_RNA) where: Base-Base interactions energy: -7.426 where: short stacking energy: -7.426 Base-Backbone interact. energy: -0.000 local terms energy: -26.722768 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.248 flat angles P-C4'-P energy: -3.496 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: 7, replica: 9 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -30.790552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.790552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.790552 (E_RNA) where: Base-Base interactions energy: -6.827 where: short stacking energy: -6.827 Base-Backbone interact. energy: -0.093 local terms energy: -23.870055 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.745 flat angles P-C4'-P energy: -3.111 tors. eta vs tors. theta energy: -3.037 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: 3 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -29.608970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.608970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.608970 (E_RNA) where: Base-Base interactions energy: -8.728 where: short stacking energy: -8.728 Base-Backbone interact. energy: -0.004 local terms energy: -20.877274 where: bonds (distance) C4'-P energy: -4.846 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -3.853 flat angles P-C4'-P energy: -5.210 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: 9, replica: 2 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -31.376795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.376795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.376795 (E_RNA) where: Base-Base interactions energy: -11.557 where: short stacking energy: -11.557 Base-Backbone interact. energy: -0.047 local terms energy: -19.772043 where: bonds (distance) C4'-P energy: -4.051 bonds (distance) P-C4' energy: -5.798 flat angles C4'-P-C4' energy: -4.554 flat angles P-C4'-P energy: -2.809 tors. eta vs tors. theta energy: -2.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -32.263074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.263074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.263074 (E_RNA) where: Base-Base interactions energy: -8.054 where: short stacking energy: -8.054 Base-Backbone interact. energy: -0.012 local terms energy: -24.197570 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -4.061 flat angles P-C4'-P energy: -5.595 tors. eta vs tors. theta energy: -1.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -38.006993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.006993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.006993 (E_RNA) where: Base-Base interactions energy: -10.793 where: short stacking energy: -10.793 Base-Backbone interact. energy: -0.012 local terms energy: -27.202509 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.291 flat angles P-C4'-P energy: -5.157 tors. eta vs tors. theta energy: -2.513 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: 2, replica: 5 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -40.744051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.744051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.744051 (E_RNA) where: Base-Base interactions energy: -12.695 where: short stacking energy: -12.695 Base-Backbone interact. energy: -0.003 local terms energy: -28.045522 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: -4.671 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: 3, replica: 10 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -32.704967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.704967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.704967 (E_RNA) where: Base-Base interactions energy: -7.901 where: short stacking energy: -7.901 Base-Backbone interact. energy: -0.155 local terms energy: -24.648874 where: bonds (distance) C4'-P energy: -4.481 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.661 flat angles P-C4'-P energy: -5.399 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: 4, replica: 8 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -39.525787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.525787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.525787 (E_RNA) where: Base-Base interactions energy: -10.780 where: short stacking energy: -10.780 Base-Backbone interact. energy: -0.000 local terms energy: -28.745643 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -6.519 flat angles P-C4'-P energy: -4.746 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: 6 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -35.736349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.736349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.736349 (E_RNA) where: Base-Base interactions energy: -11.520 where: short stacking energy: -11.520 Base-Backbone interact. energy: -0.000 local terms energy: -24.216204 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -3.045 flat angles P-C4'-P energy: -4.052 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: 6, replica: 9 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -33.554334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.554334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.554334 (E_RNA) where: Base-Base interactions energy: -6.504 where: short stacking energy: -6.504 Base-Backbone interact. energy: -0.089 local terms energy: -26.961175 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -7.097 flat angles P-C4'-P energy: -3.873 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: 7, replica: 1 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -33.062045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.062045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.062045 (E_RNA) where: Base-Base interactions energy: -7.047 where: short stacking energy: -7.047 Base-Backbone interact. energy: -0.624 local terms energy: -25.390331 where: bonds (distance) C4'-P energy: -5.343 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.936 flat angles P-C4'-P energy: -4.793 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: 8, replica: 2 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -27.478523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.478523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.478523 (E_RNA) where: Base-Base interactions energy: -3.544 where: short stacking energy: -4.044 Base-Backbone interact. energy: -0.084 local terms energy: -23.849627 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -5.296 flat angles C4'-P-C4' energy: -5.263 flat angles P-C4'-P energy: -5.115 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: 9, replica: 3 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -31.959727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.959727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.959727 (E_RNA) where: Base-Base interactions energy: -13.872 where: short stacking energy: -13.872 Base-Backbone interact. energy: -0.001 local terms energy: -18.087378 where: bonds (distance) C4'-P energy: -3.559 bonds (distance) P-C4' energy: -5.421 flat angles C4'-P-C4' energy: -2.554 flat angles P-C4'-P energy: -4.394 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: 7 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -28.917759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.917759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.917759 (E_RNA) where: Base-Base interactions energy: -4.822 where: short stacking energy: -4.822 Base-Backbone interact. energy: -0.102 local terms energy: -23.993312 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -4.498 flat angles C4'-P-C4' energy: -7.032 flat angles P-C4'-P energy: -3.835 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: 1, replica: 5 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -35.576097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.576097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.576097 (E_RNA) where: Base-Base interactions energy: -9.523 where: short stacking energy: -9.523 Base-Backbone interact. energy: -0.174 local terms energy: -25.878931 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.947 flat angles P-C4'-P energy: -3.948 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: 2, replica: 4 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -38.841011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.841011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.841011 (E_RNA) where: Base-Base interactions energy: -10.719 where: short stacking energy: -10.719 Base-Backbone interact. energy: -0.002 local terms energy: -28.120458 where: bonds (distance) C4'-P energy: -6.482 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.839 flat angles P-C4'-P energy: -4.731 tors. eta vs tors. theta energy: -3.720 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: 3, replica: 8 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -36.040619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.040619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.040619 (E_RNA) where: Base-Base interactions energy: -11.459 where: short stacking energy: -11.459 Base-Backbone interact. energy: -0.001 local terms energy: -24.580641 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.546 flat angles P-C4'-P energy: -5.286 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: 4, replica: 10 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -32.528270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.528270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.528270 (E_RNA) where: Base-Base interactions energy: -5.307 where: short stacking energy: -5.307 Base-Backbone interact. energy: -0.004 local terms energy: -27.217402 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -6.778 flat angles P-C4'-P energy: -5.211 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: 5, replica: 9 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -33.699025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.699025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.699025 (E_RNA) where: Base-Base interactions energy: -10.385 where: short stacking energy: -10.385 Base-Backbone interact. energy: -0.020 local terms energy: -23.294389 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -4.661 flat angles P-C4'-P energy: -1.891 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: 6, replica: 6 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -33.793877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.793877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.793877 (E_RNA) where: Base-Base interactions energy: -7.944 where: short stacking energy: -7.944 Base-Backbone interact. energy: -0.001 local terms energy: -25.848762 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -7.253 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -1.658 tors. eta vs tors. theta energy: -4.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -33.658732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.658732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.658732 (E_RNA) where: Base-Base interactions energy: -4.716 where: short stacking energy: -5.342 Base-Backbone interact. energy: -0.095 local terms energy: -28.847602 where: bonds (distance) C4'-P energy: -6.345 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.449 flat angles P-C4'-P energy: -4.681 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: 8, replica: 1 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -29.332377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.332377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.332377 (E_RNA) where: Base-Base interactions energy: -6.366 where: short stacking energy: -6.366 Base-Backbone interact. energy: 0.584 local terms energy: -23.550626 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.383 flat angles P-C4'-P energy: -4.345 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: 9, replica: 7 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -27.434074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.434074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.434074 (E_RNA) where: Base-Base interactions energy: -2.160 where: short stacking energy: -2.160 Base-Backbone interact. energy: -0.000 local terms energy: -25.274032 where: bonds (distance) C4'-P energy: -5.707 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.298 flat angles P-C4'-P energy: -3.877 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: 3 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -27.638427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.638427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.638427 (E_RNA) where: Base-Base interactions energy: -5.354 where: short stacking energy: -5.354 Base-Backbone interact. energy: -0.243 local terms energy: -22.041625 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -6.958 flat angles P-C4'-P energy: -5.653 tors. eta vs tors. theta energy: 2.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -38.311553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.311553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.311553 (E_RNA) where: Base-Base interactions energy: -11.486 where: short stacking energy: -10.111 Base-Backbone interact. energy: -0.100 local terms energy: -26.725760 where: bonds (distance) C4'-P energy: -4.519 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -3.775 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: 2, replica: 8 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -34.526869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.526869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.526869 (E_RNA) where: Base-Base interactions energy: -7.593 where: short stacking energy: -7.593 Base-Backbone interact. energy: -0.015 local terms energy: -26.918786 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -6.557 flat angles C4'-P-C4' energy: -6.215 flat angles P-C4'-P energy: -5.322 tors. eta vs tors. theta energy: -2.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -37.795960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.795960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.795960 (E_RNA) where: Base-Base interactions energy: -11.957 where: short stacking energy: -11.957 Base-Backbone interact. energy: -0.001 local terms energy: -25.837527 where: bonds (distance) C4'-P energy: -5.015 bonds (distance) P-C4' energy: -5.801 flat angles C4'-P-C4' energy: -6.226 flat angles P-C4'-P energy: -5.940 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: 4, replica: 9 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -28.966334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.966334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.966334 (E_RNA) where: Base-Base interactions energy: -7.815 where: short stacking energy: -7.815 Base-Backbone interact. energy: -0.098 local terms energy: -21.053416 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.916 flat angles P-C4'-P energy: -6.241 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: 5, replica: 10 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -31.235423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.235423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.235423 (E_RNA) where: Base-Base interactions energy: -6.773 where: short stacking energy: -6.773 Base-Backbone interact. energy: -0.049 local terms energy: -24.413450 where: bonds (distance) C4'-P energy: -5.599 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -7.764 flat angles P-C4'-P energy: -4.408 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: 6, replica: 2 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -31.524724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.524724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.524724 (E_RNA) where: Base-Base interactions energy: -9.638 where: short stacking energy: -8.208 Base-Backbone interact. energy: -0.003 local terms energy: -21.884421 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.422 flat angles P-C4'-P energy: -2.709 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: 7, replica: 6 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -30.380449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.380449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.380449 (E_RNA) where: Base-Base interactions energy: -7.133 where: short stacking energy: -7.133 Base-Backbone interact. energy: -0.024 local terms energy: -23.223259 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -3.561 tors. eta vs tors. theta energy: 0.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -34.504246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.504246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.504246 (E_RNA) where: Base-Base interactions energy: -9.550 where: short stacking energy: -9.550 Base-Backbone interact. energy: -0.003 local terms energy: -24.951523 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -4.422 flat angles P-C4'-P energy: -5.090 tors. eta vs tors. theta energy: -2.401 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: 9, replica: 1 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -31.051634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.051634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.051634 (E_RNA) where: Base-Base interactions energy: -8.939 where: short stacking energy: -8.939 Base-Backbone interact. energy: -0.005 local terms energy: -22.108137 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -4.528 flat angles P-C4'-P energy: -5.508 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: 10, replica: 3 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -30.064382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.064382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.064382 (E_RNA) where: Base-Base interactions energy: -8.709 where: short stacking energy: -8.709 Base-Backbone interact. energy: -0.000 local terms energy: -21.355839 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -3.319 flat angles P-C4'-P energy: -3.071 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: 1, replica: 8 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -41.031162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.031162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.031162 (E_RNA) where: Base-Base interactions energy: -12.214 where: short stacking energy: -8.744 Base-Backbone interact. energy: -0.051 local terms energy: -28.765940 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.996 flat angles P-C4'-P energy: -4.891 tors. eta vs tors. theta energy: -3.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -36.081318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.081318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.081318 (E_RNA) where: Base-Base interactions energy: -7.337 where: short stacking energy: -7.337 Base-Backbone interact. energy: -0.000 local terms energy: -28.744098 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.177 flat angles P-C4'-P energy: -2.937 tors. eta vs tors. theta energy: -4.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -35.092444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.092444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.092444 (E_RNA) where: Base-Base interactions energy: -10.134 where: short stacking energy: -10.134 Base-Backbone interact. energy: -0.001 local terms energy: -24.957802 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -7.096 flat angles P-C4'-P energy: -4.222 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: 4, replica: 4 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -37.128833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.128833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.128833 (E_RNA) where: Base-Base interactions energy: -10.962 where: short stacking energy: -10.962 Base-Backbone interact. energy: -0.000 local terms energy: -26.166307 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.285 flat angles P-C4'-P energy: -3.615 tors. eta vs tors. theta energy: -3.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -30.215492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.215492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.215492 (E_RNA) where: Base-Base interactions energy: -6.937 where: short stacking energy: -6.937 Base-Backbone interact. energy: -0.053 local terms energy: -23.225957 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.139 flat angles P-C4'-P energy: -3.679 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: 6, replica: 10 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -37.325917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.325917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.325917 (E_RNA) where: Base-Base interactions energy: -11.093 where: short stacking energy: -11.093 Base-Backbone interact. energy: -0.163 local terms energy: -26.069992 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -5.994 flat angles C4'-P-C4' energy: -6.865 flat angles P-C4'-P energy: -6.081 tors. eta vs tors. theta energy: -0.889 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: 6 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -31.675835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.675835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.675835 (E_RNA) where: Base-Base interactions energy: -5.896 where: short stacking energy: -5.896 Base-Backbone interact. energy: -0.082 local terms energy: -25.698283 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.998 flat angles P-C4'-P energy: -3.889 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: 8, replica: 7 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -29.488154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.488154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.488154 (E_RNA) where: Base-Base interactions energy: -6.588 where: short stacking energy: -6.960 Base-Backbone interact. energy: -0.024 local terms energy: -22.876391 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.675 flat angles P-C4'-P energy: -3.997 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: 9, replica: 3 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -27.387542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.387542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.387542 (E_RNA) where: Base-Base interactions energy: -4.473 where: short stacking energy: -3.291 Base-Backbone interact. energy: -0.139 local terms energy: -22.775316 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.835 flat angles P-C4'-P energy: -5.275 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: 10, replica: 1 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -29.098571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.098571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.098571 (E_RNA) where: Base-Base interactions energy: -6.316 where: short stacking energy: -6.337 Base-Backbone interact. energy: -0.015 local terms energy: -22.767217 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.951 flat angles P-C4'-P energy: -1.845 tors. eta vs tors. theta energy: -1.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -40.402958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.402958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.402958 (E_RNA) where: Base-Base interactions energy: -11.523 where: short stacking energy: -11.523 Base-Backbone interact. energy: -0.000 local terms energy: -28.880246 where: bonds (distance) C4'-P energy: -5.752 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -7.213 flat angles P-C4'-P energy: -3.671 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: 2, replica: 5 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -34.438291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.438291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.438291 (E_RNA) where: Base-Base interactions energy: -8.231 where: short stacking energy: -8.231 Base-Backbone interact. energy: -0.022 local terms energy: -26.185282 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -6.900 flat angles P-C4'-P energy: -3.928 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: 3, replica: 9 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -31.268336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.268336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.268336 (E_RNA) where: Base-Base interactions energy: -9.535 where: short stacking energy: -9.535 Base-Backbone interact. energy: -0.045 local terms energy: -21.688049 where: bonds (distance) C4'-P energy: -5.139 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -3.960 flat angles P-C4'-P energy: -4.627 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: 4, replica: 2 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -30.497537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.497537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.497537 (E_RNA) where: Base-Base interactions energy: -10.521 where: short stacking energy: -10.521 Base-Backbone interact. energy: -0.023 local terms energy: -19.953491 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -4.805 flat angles C4'-P-C4' energy: -5.234 flat angles P-C4'-P energy: -5.399 tors. eta vs tors. theta energy: 0.483 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: 4 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -32.863068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.863068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.863068 (E_RNA) where: Base-Base interactions energy: -10.493 where: short stacking energy: -10.493 Base-Backbone interact. energy: -0.000 local terms energy: -22.369938 where: bonds (distance) C4'-P energy: -5.715 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -5.183 tors. eta vs tors. theta energy: 0.453 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: 10 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -30.138666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.138666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.138666 (E_RNA) where: Base-Base interactions energy: -7.311 where: short stacking energy: -7.311 Base-Backbone interact. energy: -0.003 local terms energy: -22.824967 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -7.465 flat angles P-C4'-P energy: -4.014 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: 6 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -34.845619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.845619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.845619 (E_RNA) where: Base-Base interactions energy: -10.702 where: short stacking energy: -10.702 Base-Backbone interact. energy: -0.000 local terms energy: -24.143215 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -5.265 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -3.878 tors. eta vs tors. theta energy: -5.344 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: 8, replica: 3 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -36.581592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.581592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.581592 (E_RNA) where: Base-Base interactions energy: -13.398 where: short stacking energy: -13.398 Base-Backbone interact. energy: -0.151 local terms energy: -23.032522 where: bonds (distance) C4'-P energy: -3.115 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -5.990 flat angles P-C4'-P energy: -4.104 tors. eta vs tors. theta energy: -2.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -30.323506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.323506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.323506 (E_RNA) where: Base-Base interactions energy: -7.040 where: short stacking energy: -7.040 Base-Backbone interact. energy: -0.001 local terms energy: -23.282457 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.200 flat angles C4'-P-C4' energy: -5.860 flat angles P-C4'-P energy: -5.564 tors. eta vs tors. theta energy: 0.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -40.194589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.194589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.194589 (E_RNA) where: Base-Base interactions energy: -12.217 where: short stacking energy: -12.217 Base-Backbone interact. energy: -0.001 local terms energy: -27.976834 where: bonds (distance) C4'-P energy: -4.688 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.745 flat angles P-C4'-P energy: -5.393 tors. eta vs tors. theta energy: -4.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -37.653769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.653769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.653769 (E_RNA) where: Base-Base interactions energy: -10.172 where: short stacking energy: -10.172 Base-Backbone interact. energy: -0.032 local terms energy: -27.450150 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -4.757 tors. eta vs tors. theta energy: -2.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -39.625966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.625966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.625966 (E_RNA) where: Base-Base interactions energy: -11.487 where: short stacking energy: -11.388 Base-Backbone interact. energy: -0.070 local terms energy: -28.069212 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.606 flat angles P-C4'-P energy: -5.369 tors. eta vs tors. theta energy: -2.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -34.140368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.140368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.140368 (E_RNA) where: Base-Base interactions energy: -5.286 where: short stacking energy: -5.286 Base-Backbone interact. energy: -0.000 local terms energy: -28.853770 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.334 flat angles P-C4'-P energy: -5.050 tors. eta vs tors. theta energy: -4.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -34.538544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.538544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.538544 (E_RNA) where: Base-Base interactions energy: -7.500 where: short stacking energy: -7.500 Base-Backbone interact. energy: -1.277 local terms energy: -25.761317 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.264 flat angles P-C4'-P energy: -5.227 tors. eta vs tors. theta energy: -2.550 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: 10 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -32.223541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.223541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.223541 (E_RNA) where: Base-Base interactions energy: -7.942 where: short stacking energy: -6.606 Base-Backbone interact. energy: -0.001 local terms energy: -24.280032 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -4.476 flat angles C4'-P-C4' energy: -4.557 flat angles P-C4'-P energy: -5.311 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: 6, replica: 4 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -31.797214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.797214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.797214 (E_RNA) where: Base-Base interactions energy: -6.724 where: short stacking energy: -6.724 Base-Backbone interact. energy: -0.003 local terms energy: -25.070784 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -4.958 flat angles C4'-P-C4' energy: -4.971 flat angles P-C4'-P energy: -5.818 tors. eta vs tors. theta energy: -3.377 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: 7, replica: 6 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -33.660924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.660924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.660924 (E_RNA) where: Base-Base interactions energy: -10.867 where: short stacking energy: -10.867 Base-Backbone interact. energy: -0.068 local terms energy: -22.725581 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -3.399 flat angles P-C4'-P energy: -3.531 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: 8, replica: 3 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -32.441101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.441101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.441101 (E_RNA) where: Base-Base interactions energy: -7.575 where: short stacking energy: -7.575 Base-Backbone interact. energy: -0.006 local terms energy: -24.859936 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -7.166 flat angles P-C4'-P energy: -3.539 tors. eta vs tors. theta energy: -0.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -27.889703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.889703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.889703 (E_RNA) where: Base-Base interactions energy: -7.502 where: short stacking energy: -7.480 Base-Backbone interact. energy: -0.025 local terms energy: -20.362690 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.830 flat angles P-C4'-P energy: 0.533 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: 10, replica: 7 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -31.368786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.368786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.368786 (E_RNA) where: Base-Base interactions energy: -7.588 where: short stacking energy: -7.588 Base-Backbone interact. energy: -0.023 local terms energy: -23.757767 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -6.164 flat angles P-C4'-P energy: -1.955 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: 1, replica: 5 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -36.796497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.796497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.796497 (E_RNA) where: Base-Base interactions energy: -10.745 where: short stacking energy: -10.745 Base-Backbone interact. energy: -0.089 local terms energy: -25.962444 where: bonds (distance) C4'-P energy: -5.247 bonds (distance) P-C4' energy: -6.553 flat angles C4'-P-C4' energy: -6.356 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: -3.781 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: 2 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -43.467729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.467729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.467729 (E_RNA) where: Base-Base interactions energy: -14.284 where: short stacking energy: -14.284 Base-Backbone interact. energy: -0.004 local terms energy: -29.180038 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -6.673 flat angles P-C4'-P energy: -3.349 tors. eta vs tors. theta energy: -5.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -40.697803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.697803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.697803 (E_RNA) where: Base-Base interactions energy: -13.329 where: short stacking energy: -13.329 Base-Backbone interact. energy: -0.012 local terms energy: -27.356664 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -6.718 flat angles C4'-P-C4' energy: -5.035 flat angles P-C4'-P energy: -4.372 tors. eta vs tors. theta energy: -4.892 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: 10 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -31.448791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.448791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.448791 (E_RNA) where: Base-Base interactions energy: -9.265 where: short stacking energy: -9.265 Base-Backbone interact. energy: -0.044 local terms energy: -22.139942 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -5.001 flat angles P-C4'-P energy: -1.737 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: 5, replica: 9 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -29.322984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.322984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.322984 (E_RNA) where: Base-Base interactions energy: -7.105 where: short stacking energy: -7.105 Base-Backbone interact. energy: -0.002 local terms energy: -22.215252 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -4.030 flat angles P-C4'-P energy: -5.144 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: 6, replica: 6 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -29.978401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.978401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.978401 (E_RNA) where: Base-Base interactions energy: -7.925 where: short stacking energy: -5.006 Base-Backbone interact. energy: -0.195 local terms energy: -21.857859 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.897 flat angles P-C4'-P energy: -3.706 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: 4 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -30.614434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.614434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.614434 (E_RNA) where: Base-Base interactions energy: -5.804 where: short stacking energy: -4.329 Base-Backbone interact. energy: -0.888 local terms energy: -23.922428 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -5.512 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: 8, replica: 1 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -32.168590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.168590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.168590 (E_RNA) where: Base-Base interactions energy: -9.324 where: short stacking energy: -9.324 Base-Backbone interact. energy: -0.050 local terms energy: -22.794653 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.070 flat angles P-C4'-P energy: -5.166 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: 9, replica: 3 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -31.598711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.598711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.598711 (E_RNA) where: Base-Base interactions energy: -8.177 where: short stacking energy: -8.177 Base-Backbone interact. energy: -0.090 local terms energy: -23.331407 where: bonds (distance) C4'-P energy: -3.365 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -4.989 flat angles P-C4'-P energy: -5.056 tors. eta vs tors. theta energy: -3.748 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: 7 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -29.277159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.277159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.277159 (E_RNA) where: Base-Base interactions energy: -6.030 where: short stacking energy: -6.030 Base-Backbone interact. energy: -0.000 local terms energy: -23.247190 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -3.638 flat angles P-C4'-P energy: -3.233 tors. eta vs tors. theta energy: -2.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -35.271721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.271721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.271721 (E_RNA) where: Base-Base interactions energy: -9.411 where: short stacking energy: -9.411 Base-Backbone interact. energy: -0.099 local terms energy: -25.761362 where: bonds (distance) C4'-P energy: -6.816 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.091 flat angles P-C4'-P energy: -2.500 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: 2 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -37.825682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.825682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.825682 (E_RNA) where: Base-Base interactions energy: -10.398 where: short stacking energy: -10.398 Base-Backbone interact. energy: -0.100 local terms energy: -27.327440 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -6.699 flat angles P-C4'-P energy: -5.648 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: 3, replica: 8 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -34.598210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.598210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.598210 (E_RNA) where: Base-Base interactions energy: -8.183 where: short stacking energy: -8.183 Base-Backbone interact. energy: -0.105 local terms energy: -26.310413 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.475 flat angles P-C4'-P energy: -5.424 tors. eta vs tors. theta energy: -1.110 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: 4, replica: 10 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -36.444217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.444217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.444217 (E_RNA) where: Base-Base interactions energy: -10.190 where: short stacking energy: -10.590 Base-Backbone interact. energy: -0.023 local terms energy: -26.230721 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -3.368 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: 5, replica: 6 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -31.439415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.439415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.439415 (E_RNA) where: Base-Base interactions energy: -7.194 where: short stacking energy: -7.194 Base-Backbone interact. energy: -0.000 local terms energy: -24.244838 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.823 flat angles C4'-P-C4' energy: -5.718 flat angles P-C4'-P energy: -3.964 tors. eta vs tors. theta energy: -1.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -34.874718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.874718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.874718 (E_RNA) where: Base-Base interactions energy: -11.762 where: short stacking energy: -11.762 Base-Backbone interact. energy: -0.077 local terms energy: -23.035269 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -1.911 flat angles P-C4'-P energy: -4.657 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: 7, replica: 1 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -31.093129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.093129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.093129 (E_RNA) where: Base-Base interactions energy: -8.154 where: short stacking energy: -8.154 Base-Backbone interact. energy: -0.308 local terms energy: -22.630810 where: bonds (distance) C4'-P energy: -5.719 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.704 flat angles P-C4'-P energy: -2.772 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: 8, replica: 4 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -28.752902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.752902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.752902 (E_RNA) where: Base-Base interactions energy: -4.933 where: short stacking energy: -4.933 Base-Backbone interact. energy: -0.186 local terms energy: -23.633872 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.963 flat angles P-C4'-P energy: -2.484 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: 9, replica: 7 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -30.334683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.334683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.334683 (E_RNA) where: Base-Base interactions energy: -11.765 where: short stacking energy: -11.765 Base-Backbone interact. energy: -0.000 local terms energy: -18.569328 where: bonds (distance) C4'-P energy: -0.742 bonds (distance) P-C4' energy: -5.535 flat angles C4'-P-C4' energy: -6.084 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: -2.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -27.133074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.133074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.133074 (E_RNA) where: Base-Base interactions energy: -7.161 where: short stacking energy: -7.161 Base-Backbone interact. energy: -0.017 local terms energy: -19.954726 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -5.653 flat angles C4'-P-C4' energy: -6.054 flat angles P-C4'-P energy: -2.959 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: 1, replica: 5 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -37.766537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.766537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.766537 (E_RNA) where: Base-Base interactions energy: -10.550 where: short stacking energy: -10.550 Base-Backbone interact. energy: -0.064 local terms energy: -27.152861 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -5.193 flat angles P-C4'-P energy: -5.171 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: 8 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -36.581596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.581596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.581596 (E_RNA) where: Base-Base interactions energy: -12.115 where: short stacking energy: -12.115 Base-Backbone interact. energy: -0.091 local terms energy: -24.376059 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.703 flat angles P-C4'-P energy: -2.925 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: 3, replica: 2 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -39.210734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.210734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.210734 (E_RNA) where: Base-Base interactions energy: -13.530 where: short stacking energy: -13.530 Base-Backbone interact. energy: -0.001 local terms energy: -25.680298 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.227 flat angles P-C4'-P energy: -3.800 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: 4, replica: 6 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -31.501125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.501125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.501125 (E_RNA) where: Base-Base interactions energy: -4.318 where: short stacking energy: -4.318 Base-Backbone interact. energy: -0.040 local terms energy: -27.143389 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -6.001 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: 5, replica: 10 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -35.303556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.303556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.303556 (E_RNA) where: Base-Base interactions energy: -9.490 where: short stacking energy: -8.544 Base-Backbone interact. energy: -0.008 local terms energy: -25.805936 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -3.490 flat angles C4'-P-C4' energy: -6.741 flat angles P-C4'-P energy: -3.787 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: 6, replica: 1 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -29.928194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.928194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.928194 (E_RNA) where: Base-Base interactions energy: -7.657 where: short stacking energy: -7.657 Base-Backbone interact. energy: -0.004 local terms energy: -22.266821 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.293 flat angles P-C4'-P energy: -3.537 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: 7, replica: 9 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -33.042383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.042383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.042383 (E_RNA) where: Base-Base interactions energy: -7.604 where: short stacking energy: -7.604 Base-Backbone interact. energy: -0.000 local terms energy: -25.438391 where: bonds (distance) C4'-P energy: -5.542 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -4.946 flat angles P-C4'-P energy: -5.588 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: 249 Temperature: 1.250000 Total energy: -33.664493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.664493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.664493 (E_RNA) where: Base-Base interactions energy: -7.421 where: short stacking energy: -7.421 Base-Backbone interact. energy: -0.000 local terms energy: -26.243227 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -5.461 flat angles P-C4'-P energy: -1.784 tors. eta vs tors. theta energy: -5.146 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: 4 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -29.495024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.495024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.495024 (E_RNA) where: Base-Base interactions energy: -4.228 where: short stacking energy: -3.675 Base-Backbone interact. energy: -0.072 local terms energy: -25.195511 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.000 flat angles P-C4'-P energy: -5.655 tors. eta vs tors. theta energy: 0.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -27.147137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.147137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.147137 (E_RNA) where: Base-Base interactions energy: -4.731 where: short stacking energy: -4.731 Base-Backbone interact. energy: -0.003 local terms energy: -22.413082 where: bonds (distance) C4'-P energy: -5.563 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.098 flat angles P-C4'-P energy: -1.998 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: 1, replica: 8 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -43.866957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.866957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.866957 (E_RNA) where: Base-Base interactions energy: -15.065 where: short stacking energy: -15.065 Base-Backbone interact. energy: -0.000 local terms energy: -28.801781 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -5.456 flat angles P-C4'-P energy: -5.111 tors. eta vs tors. theta energy: -4.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -42.202768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.202768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.202768 (E_RNA) where: Base-Base interactions energy: -14.894 where: short stacking energy: -14.766 Base-Backbone interact. energy: -0.018 local terms energy: -27.290425 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -4.759 flat angles P-C4'-P energy: -4.345 tors. eta vs tors. theta energy: -3.474 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: 3, replica: 6 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -38.632628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.632628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.632628 (E_RNA) where: Base-Base interactions energy: -14.198 where: short stacking energy: -14.198 Base-Backbone interact. energy: -0.003 local terms energy: -24.431319 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.924 flat angles P-C4'-P energy: -1.978 tors. eta vs tors. theta energy: -2.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -29.959503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.959503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.959503 (E_RNA) where: Base-Base interactions energy: -5.558 where: short stacking energy: -5.558 Base-Backbone interact. energy: -0.020 local terms energy: -24.381620 where: bonds (distance) C4'-P energy: -5.343 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -7.347 flat angles P-C4'-P energy: -4.627 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: 5, replica: 1 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -33.127679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.127679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.127679 (E_RNA) where: Base-Base interactions energy: -5.772 where: short stacking energy: -5.772 Base-Backbone interact. energy: -0.027 local terms energy: -27.329045 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -5.635 flat angles P-C4'-P energy: -5.449 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: 6, replica: 10 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -29.139022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.139022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.139022 (E_RNA) where: Base-Base interactions energy: -3.719 where: short stacking energy: -3.719 Base-Backbone interact. energy: -0.008 local terms energy: -25.411606 where: bonds (distance) C4'-P energy: -5.959 bonds (distance) P-C4' energy: -6.529 flat angles C4'-P-C4' energy: -5.923 flat angles P-C4'-P energy: -5.201 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: 7 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -39.687067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.687067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.687067 (E_RNA) where: Base-Base interactions energy: -13.424 where: short stacking energy: -13.424 Base-Backbone interact. energy: -0.026 local terms energy: -26.237337 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.571 flat angles P-C4'-P energy: -5.977 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: 8, replica: 9 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -31.369946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.369946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.369946 (E_RNA) where: Base-Base interactions energy: -7.687 where: short stacking energy: -7.687 Base-Backbone interact. energy: -0.000 local terms energy: -23.682821 where: bonds (distance) C4'-P energy: -5.061 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.655 flat angles P-C4'-P energy: -4.740 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: 9, replica: 3 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -29.577803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.577803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.577803 (E_RNA) where: Base-Base interactions energy: -5.926 where: short stacking energy: -5.926 Base-Backbone interact. energy: -0.032 local terms energy: -23.619517 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -6.211 flat angles P-C4'-P energy: -3.704 tors. eta vs tors. theta energy: -1.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -27.744067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.744067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.744067 (E_RNA) where: Base-Base interactions energy: -6.536 where: short stacking energy: -6.536 Base-Backbone interact. energy: -0.017 local terms energy: -21.191906 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -5.815 flat angles C4'-P-C4' energy: -4.273 flat angles P-C4'-P energy: -3.888 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: 1, replica: 8 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -39.580357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.580357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.580357 (E_RNA) where: Base-Base interactions energy: -11.992 where: short stacking energy: -11.992 Base-Backbone interact. energy: -0.007 local terms energy: -27.581216 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.495 flat angles P-C4'-P energy: -4.270 tors. eta vs tors. theta energy: -2.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -41.796470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.796470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.796470 (E_RNA) where: Base-Base interactions energy: -14.917 where: short stacking energy: -14.917 Base-Backbone interact. energy: -0.000 local terms energy: -26.879536 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.498 flat angles P-C4'-P energy: -2.914 tors. eta vs tors. theta energy: -6.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -38.620526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.620526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.620526 (E_RNA) where: Base-Base interactions energy: -15.685 where: short stacking energy: -15.685 Base-Backbone interact. energy: -0.001 local terms energy: -22.934603 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -4.041 flat angles P-C4'-P energy: -4.421 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: 4, replica: 1 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -33.076969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.076969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.076969 (E_RNA) where: Base-Base interactions energy: -7.503 where: short stacking energy: -7.503 Base-Backbone interact. energy: -0.022 local terms energy: -25.551547 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -7.057 flat angles P-C4'-P energy: -3.973 tors. eta vs tors. theta energy: -1.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -34.730944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.730944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.730944 (E_RNA) where: Base-Base interactions energy: -10.515 where: short stacking energy: -10.515 Base-Backbone interact. energy: -0.066 local terms energy: -24.149749 where: bonds (distance) C4'-P energy: -4.002 bonds (distance) P-C4' energy: -6.228 flat angles C4'-P-C4' energy: -7.160 flat angles P-C4'-P energy: -4.015 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: 6, replica: 7 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -32.987687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.987687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.987687 (E_RNA) where: Base-Base interactions energy: -9.250 where: short stacking energy: -9.250 Base-Backbone interact. energy: -0.001 local terms energy: -23.736798 where: bonds (distance) C4'-P energy: -5.426 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -5.284 flat angles P-C4'-P energy: -4.370 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: 10 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -32.944010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.944010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.944010 (E_RNA) where: Base-Base interactions energy: -8.414 where: short stacking energy: -8.414 Base-Backbone interact. energy: -0.000 local terms energy: -24.529596 where: bonds (distance) C4'-P energy: -6.151 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.539 flat angles P-C4'-P energy: -4.695 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: 8, replica: 3 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -28.125936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.125936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.125936 (E_RNA) where: Base-Base interactions energy: -5.713 where: short stacking energy: -6.192 Base-Backbone interact. energy: -0.020 local terms energy: -22.392359 where: bonds (distance) C4'-P energy: -5.209 bonds (distance) P-C4' energy: -5.488 flat angles C4'-P-C4' energy: -4.401 flat angles P-C4'-P energy: -4.245 tors. eta vs tors. theta energy: -3.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -31.049830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.049830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.049830 (E_RNA) where: Base-Base interactions energy: -8.720 where: short stacking energy: -7.493 Base-Backbone interact. energy: -0.172 local terms energy: -22.158027 where: bonds (distance) C4'-P energy: -4.179 bonds (distance) P-C4' energy: -7.290 flat angles C4'-P-C4' energy: -5.667 flat angles P-C4'-P energy: -4.457 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: 10, replica: 4 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -26.782050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.782050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.782050 (E_RNA) where: Base-Base interactions energy: -5.766 where: short stacking energy: -3.905 Base-Backbone interact. energy: -0.102 local terms energy: -20.913492 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -3.927 flat angles P-C4'-P energy: -5.666 tors. eta vs tors. theta energy: 2.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -40.868333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.868333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.868333 (E_RNA) where: Base-Base interactions energy: -12.630 where: short stacking energy: -12.630 Base-Backbone interact. energy: -0.044 local terms energy: -28.194993 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -5.525 flat angles P-C4'-P energy: -6.443 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: 2, replica: 8 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -39.788717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.788717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.788717 (E_RNA) where: Base-Base interactions energy: -11.385 where: short stacking energy: -11.385 Base-Backbone interact. energy: -0.001 local terms energy: -28.402740 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -4.924 flat angles C4'-P-C4' energy: -7.488 flat angles P-C4'-P energy: -5.576 tors. eta vs tors. theta energy: -4.253 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: 252 Temperature: 1.000000 Total energy: -38.808572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.808572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.808572 (E_RNA) where: Base-Base interactions energy: -14.858 where: short stacking energy: -12.152 Base-Backbone interact. energy: -0.010 local terms energy: -23.940808 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.988 flat angles P-C4'-P energy: -4.907 tors. eta vs tors. theta energy: 1.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -40.631795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.631795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.631795 (E_RNA) where: Base-Base interactions energy: -14.829 where: short stacking energy: -14.829 Base-Backbone interact. energy: -0.053 local terms energy: -25.750362 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -3.293 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: 252 Temperature: 1.100000 Total energy: -32.521203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.521203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.521203 (E_RNA) where: Base-Base interactions energy: -11.323 where: short stacking energy: -11.323 Base-Backbone interact. energy: -0.100 local terms energy: -21.098610 where: bonds (distance) C4'-P energy: -4.251 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.889 flat angles P-C4'-P energy: -1.956 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: 2 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -32.737107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.737107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.737107 (E_RNA) where: Base-Base interactions energy: -6.596 where: short stacking energy: -6.270 Base-Backbone interact. energy: -0.099 local terms energy: -26.042436 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.259 flat angles C4'-P-C4' energy: -3.031 flat angles P-C4'-P energy: -5.463 tors. eta vs tors. theta energy: -4.058 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: 3 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -31.319173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.319173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.319173 (E_RNA) where: Base-Base interactions energy: -8.087 where: short stacking energy: -8.085 Base-Backbone interact. energy: -0.270 local terms energy: -22.961456 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -5.717 flat angles C4'-P-C4' energy: -6.318 flat angles P-C4'-P energy: -4.045 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: 252 Temperature: 1.250000 Total energy: -31.152958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.152958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.152958 (E_RNA) where: Base-Base interactions energy: -8.667 where: short stacking energy: -8.667 Base-Backbone interact. energy: -0.000 local terms energy: -22.486323 where: bonds (distance) C4'-P energy: -5.480 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.011 flat angles P-C4'-P energy: -0.205 tors. eta vs tors. theta energy: -2.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -29.401034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.401034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.401034 (E_RNA) where: Base-Base interactions energy: -6.642 where: short stacking energy: -6.642 Base-Backbone interact. energy: -0.073 local terms energy: -22.686514 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -6.777 flat angles P-C4'-P energy: -2.082 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: 9 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -29.589689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.589689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.589689 (E_RNA) where: Base-Base interactions energy: -6.735 where: short stacking energy: -6.735 Base-Backbone interact. energy: -0.010 local terms energy: -22.845097 where: bonds (distance) C4'-P energy: -5.363 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -4.447 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: 1, replica: 6 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -39.690538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.690538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.690538 (E_RNA) where: Base-Base interactions energy: -9.924 where: short stacking energy: -9.924 Base-Backbone interact. energy: -0.017 local terms energy: -29.749125 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -7.396 flat angles P-C4'-P energy: -4.465 tors. eta vs tors. theta energy: -4.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -35.587664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.587664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.587664 (E_RNA) where: Base-Base interactions energy: -8.204 where: short stacking energy: -8.204 Base-Backbone interact. energy: -0.004 local terms energy: -27.379756 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.758 flat angles P-C4'-P energy: -4.666 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: 3, replica: 8 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -32.868662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.868662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.868662 (E_RNA) where: Base-Base interactions energy: -9.705 where: short stacking energy: -9.705 Base-Backbone interact. energy: -0.005 local terms energy: -23.158072 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.370 flat angles P-C4'-P energy: -2.897 tors. eta vs tors. theta energy: -0.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -33.574513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.574513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.574513 (E_RNA) where: Base-Base interactions energy: -10.172 where: short stacking energy: -9.258 Base-Backbone interact. energy: -0.096 local terms energy: -23.306848 where: bonds (distance) C4'-P energy: -4.837 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.309 flat angles P-C4'-P energy: -4.993 tors. eta vs tors. theta energy: -0.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -32.742016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.742016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.742016 (E_RNA) where: Base-Base interactions energy: -10.030 where: short stacking energy: -10.030 Base-Backbone interact. energy: -0.002 local terms energy: -22.710730 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.204 flat angles P-C4'-P energy: -3.647 tors. eta vs tors. theta energy: -1.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -30.704833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.704833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.704833 (E_RNA) where: Base-Base interactions energy: -6.931 where: short stacking energy: -6.931 Base-Backbone interact. energy: -0.001 local terms energy: -23.772829 where: bonds (distance) C4'-P energy: -4.705 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.529 flat angles P-C4'-P energy: -5.023 tors. eta vs tors. theta energy: -3.739 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: 2 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -33.585653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.585653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.585653 (E_RNA) where: Base-Base interactions energy: -8.671 where: short stacking energy: -8.671 Base-Backbone interact. energy: -0.016 local terms energy: -24.898326 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -6.926 flat angles P-C4'-P energy: -2.358 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: 8, replica: 4 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -33.818961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.818961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.818961 (E_RNA) where: Base-Base interactions energy: -13.432 where: short stacking energy: -13.432 Base-Backbone interact. energy: -0.101 local terms energy: -20.285773 where: bonds (distance) C4'-P energy: -3.348 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -7.498 flat angles P-C4'-P energy: -3.291 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: 9, replica: 10 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -32.308882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.308882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.308882 (E_RNA) where: Base-Base interactions energy: -10.638 where: short stacking energy: -10.638 Base-Backbone interact. energy: -0.001 local terms energy: -21.670084 where: bonds (distance) C4'-P energy: -4.064 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.672 flat angles P-C4'-P energy: -4.097 tors. eta vs tors. theta energy: -1.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -25.716585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.716585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.716585 (E_RNA) where: Base-Base interactions energy: -5.542 where: short stacking energy: -5.542 Base-Backbone interact. energy: -0.269 local terms energy: -19.906089 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -5.575 flat angles C4'-P-C4' energy: -5.664 flat angles P-C4'-P energy: -3.562 tors. eta vs tors. theta energy: 1.170 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: 254 Temperature: 0.900000 Total energy: -41.579945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.579945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.579945 (E_RNA) where: Base-Base interactions energy: -13.997 where: short stacking energy: -13.832 Base-Backbone interact. energy: -0.001 local terms energy: -27.582337 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -6.309 flat angles P-C4'-P energy: -3.568 tors. eta vs tors. theta energy: -5.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -39.737812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.737812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.737812 (E_RNA) where: Base-Base interactions energy: -14.261 where: short stacking energy: -9.714 Base-Backbone interact. energy: -0.033 local terms energy: -25.443777 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.027 flat angles P-C4'-P energy: -5.188 tors. eta vs tors. theta energy: -0.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -33.854422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.854422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.854422 (E_RNA) where: Base-Base interactions energy: -14.369 where: short stacking energy: -14.369 Base-Backbone interact. energy: -0.000 local terms energy: -19.485483 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -2.739 flat angles P-C4'-P energy: -2.353 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: 4, replica: 7 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -41.669449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.669449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.669449 (E_RNA) where: Base-Base interactions energy: -13.665 where: short stacking energy: -13.665 Base-Backbone interact. energy: -0.059 local terms energy: -27.945277 where: bonds (distance) C4'-P energy: -5.281 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.653 flat angles P-C4'-P energy: -4.907 tors. eta vs tors. theta energy: -4.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -31.336925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.336925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.336925 (E_RNA) where: Base-Base interactions energy: -4.906 where: short stacking energy: -4.906 Base-Backbone interact. energy: -0.032 local terms energy: -26.399074 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.873 flat angles P-C4'-P energy: -6.299 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: 6, replica: 5 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -29.396908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.396908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.396908 (E_RNA) where: Base-Base interactions energy: -6.831 where: short stacking energy: -6.831 Base-Backbone interact. energy: -0.013 local terms energy: -22.553428 where: bonds (distance) C4'-P energy: -4.180 bonds (distance) P-C4' energy: -6.551 flat angles C4'-P-C4' energy: -5.040 flat angles P-C4'-P energy: -4.316 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: 7, replica: 4 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -31.955395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.955395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.955395 (E_RNA) where: Base-Base interactions energy: -8.571 where: short stacking energy: -8.571 Base-Backbone interact. energy: -0.003 local terms energy: -23.381325 where: bonds (distance) C4'-P energy: -5.976 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.341 flat angles P-C4'-P energy: -4.081 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: 8, replica: 2 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -29.889463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.889463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.889463 (E_RNA) where: Base-Base interactions energy: -6.221 where: short stacking energy: -6.221 Base-Backbone interact. energy: -0.043 local terms energy: -23.625462 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.210 flat angles P-C4'-P energy: -5.559 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: 9, replica: 9 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -29.676205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.676205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.676205 (E_RNA) where: Base-Base interactions energy: -8.740 where: short stacking energy: -8.740 Base-Backbone interact. energy: -0.027 local terms energy: -20.908877 where: bonds (distance) C4'-P energy: -5.087 bonds (distance) P-C4' energy: -5.414 flat angles C4'-P-C4' energy: -5.336 flat angles P-C4'-P energy: -2.282 tors. eta vs tors. theta energy: -2.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -31.020198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.020198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.020198 (E_RNA) where: Base-Base interactions energy: -7.759 where: short stacking energy: -7.759 Base-Backbone interact. energy: -0.067 local terms energy: -23.194561 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -4.896 flat angles P-C4'-P energy: -5.183 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: 1, replica: 1 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -41.863813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.863813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.863813 (E_RNA) where: Base-Base interactions energy: -11.238 where: short stacking energy: -11.238 Base-Backbone interact. energy: -0.092 local terms energy: -30.533953 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: -4.048 tors. eta vs tors. theta energy: -5.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -39.153710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.153710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.153710 (E_RNA) where: Base-Base interactions energy: -11.539 where: short stacking energy: -11.539 Base-Backbone interact. energy: -0.014 local terms energy: -27.600893 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: -3.026 tors. eta vs tors. theta energy: -4.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -37.612526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.612526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.612526 (E_RNA) where: Base-Base interactions energy: -14.936 where: short stacking energy: -11.288 Base-Backbone interact. energy: 2.463 local terms energy: -25.139504 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -5.790 flat angles C4'-P-C4' energy: -4.559 flat angles P-C4'-P energy: -4.542 tors. eta vs tors. theta energy: -3.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -35.064836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.064836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.064836 (E_RNA) where: Base-Base interactions energy: -11.359 where: short stacking energy: -11.359 Base-Backbone interact. energy: -0.008 local terms energy: -23.697643 where: bonds (distance) C4'-P energy: -5.264 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -4.567 flat angles P-C4'-P energy: -2.746 tors. eta vs tors. theta energy: -4.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -35.050724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.050724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.050724 (E_RNA) where: Base-Base interactions energy: -10.701 where: short stacking energy: -10.701 Base-Backbone interact. energy: -0.093 local terms energy: -24.256198 where: bonds (distance) C4'-P energy: -4.850 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -6.516 flat angles P-C4'-P energy: -3.051 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: 6, replica: 4 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -35.748805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.748805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.748805 (E_RNA) where: Base-Base interactions energy: -7.843 where: short stacking energy: -7.843 Base-Backbone interact. energy: -0.000 local terms energy: -27.905523 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -6.244 flat angles P-C4'-P energy: -5.715 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: 7, replica: 5 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -30.041236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.041236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.041236 (E_RNA) where: Base-Base interactions energy: -5.587 where: short stacking energy: -5.587 Base-Backbone interact. energy: -0.020 local terms energy: -24.434399 where: bonds (distance) C4'-P energy: -5.395 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.885 flat angles P-C4'-P energy: -4.005 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: 8, replica: 9 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -29.937271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.937271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.937271 (E_RNA) where: Base-Base interactions energy: -7.661 where: short stacking energy: -6.825 Base-Backbone interact. energy: -0.052 local terms energy: -22.224214 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -2.973 flat angles P-C4'-P energy: -5.279 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: 9, replica: 2 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -30.617433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.617433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.617433 (E_RNA) where: Base-Base interactions energy: -7.038 where: short stacking energy: -7.038 Base-Backbone interact. energy: -0.008 local terms energy: -23.571396 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -5.732 flat angles P-C4'-P energy: -3.080 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: 10 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -29.861232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.861232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.861232 (E_RNA) where: Base-Base interactions energy: -4.396 where: short stacking energy: -4.396 Base-Backbone interact. energy: -0.000 local terms energy: -25.465421 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -0.496 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: 1, replica: 8 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -38.833625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.833625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.833625 (E_RNA) where: Base-Base interactions energy: -13.037 where: short stacking energy: -11.720 Base-Backbone interact. energy: -0.067 local terms energy: -25.729503 where: bonds (distance) C4'-P energy: -6.593 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -5.389 flat angles P-C4'-P energy: -4.709 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: 2, replica: 1 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -35.782740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.782740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.782740 (E_RNA) where: Base-Base interactions energy: -12.161 where: short stacking energy: -12.161 Base-Backbone interact. energy: -0.090 local terms energy: -23.532400 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -2.778 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: 3, replica: 3 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -37.520186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.520186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.520186 (E_RNA) where: Base-Base interactions energy: -9.232 where: short stacking energy: -9.232 Base-Backbone interact. energy: -0.000 local terms energy: -28.288232 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -3.430 flat angles P-C4'-P energy: -4.474 tors. eta vs tors. theta energy: -5.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -33.938613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.938613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.938613 (E_RNA) where: Base-Base interactions energy: -9.842 where: short stacking energy: -9.842 Base-Backbone interact. energy: -0.061 local terms energy: -24.035407 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -6.937 flat angles P-C4'-P energy: -3.705 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: 5, replica: 4 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -35.079020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.079020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.079020 (E_RNA) where: Base-Base interactions energy: -7.850 where: short stacking energy: -7.850 Base-Backbone interact. energy: -0.000 local terms energy: -27.229285 where: bonds (distance) C4'-P energy: -5.848 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -5.949 flat angles P-C4'-P energy: -5.442 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: 6, replica: 7 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -31.408520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.408520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.408520 (E_RNA) where: Base-Base interactions energy: -11.062 where: short stacking energy: -11.062 Base-Backbone interact. energy: -0.000 local terms energy: -20.346808 where: bonds (distance) C4'-P energy: -5.757 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.450 flat angles P-C4'-P energy: -3.068 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: 9 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -28.754538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.754538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.754538 (E_RNA) where: Base-Base interactions energy: -3.018 where: short stacking energy: -3.018 Base-Backbone interact. energy: -0.106 local terms energy: -25.630729 where: bonds (distance) C4'-P energy: -5.619 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.617 flat angles P-C4'-P energy: -5.711 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: 8, replica: 5 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -31.468812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.468812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.468812 (E_RNA) where: Base-Base interactions energy: -8.171 where: short stacking energy: -8.171 Base-Backbone interact. energy: -0.001 local terms energy: -23.297420 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.932 flat angles P-C4'-P energy: -2.957 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: 9, replica: 10 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -33.966577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.966577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.966577 (E_RNA) where: Base-Base interactions energy: -9.542 where: short stacking energy: -9.542 Base-Backbone interact. energy: -0.002 local terms energy: -24.422755 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.904 flat angles P-C4'-P energy: -2.670 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: 10, replica: 2 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -32.936987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.936987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.936987 (E_RNA) where: Base-Base interactions energy: -9.767 where: short stacking energy: -9.767 Base-Backbone interact. energy: -0.011 local terms energy: -23.158732 where: bonds (distance) C4'-P energy: -2.121 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.827 flat angles P-C4'-P energy: -5.227 tors. eta vs tors. theta energy: -3.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -33.339966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.339966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.339966 (E_RNA) where: Base-Base interactions energy: -9.679 where: short stacking energy: -9.679 Base-Backbone interact. energy: -0.001 local terms energy: -23.659528 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -7.415 flat angles P-C4'-P energy: -2.609 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: 2, replica: 3 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -37.066756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.066756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.066756 (E_RNA) where: Base-Base interactions energy: -12.346 where: short stacking energy: -12.346 Base-Backbone interact. energy: -0.000 local terms energy: -24.720571 where: bonds (distance) C4'-P energy: -5.194 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -4.690 flat angles P-C4'-P energy: -5.621 tors. eta vs tors. theta energy: -2.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -38.319792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.319792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.319792 (E_RNA) where: Base-Base interactions energy: -15.391 where: short stacking energy: -15.391 Base-Backbone interact. energy: -0.006 local terms energy: -22.923005 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.273 flat angles P-C4'-P energy: -3.504 tors. eta vs tors. theta energy: -0.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -40.704721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.704721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.704721 (E_RNA) where: Base-Base interactions energy: -12.811 where: short stacking energy: -12.811 Base-Backbone interact. energy: -0.024 local terms energy: -27.869796 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -5.603 flat angles C4'-P-C4' energy: -7.062 flat angles P-C4'-P energy: -4.610 tors. eta vs tors. theta energy: -4.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -31.801236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.801236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.801236 (E_RNA) where: Base-Base interactions energy: -8.231 where: short stacking energy: -8.231 Base-Backbone interact. energy: -0.123 local terms energy: -23.446841 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.781 flat angles P-C4'-P energy: -4.553 tors. eta vs tors. theta energy: 1.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -28.352076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.352076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.352076 (E_RNA) where: Base-Base interactions energy: -5.433 where: short stacking energy: -5.433 Base-Backbone interact. energy: -0.001 local terms energy: -22.918446 where: bonds (distance) C4'-P energy: -4.305 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -6.473 flat angles P-C4'-P energy: -4.049 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: 7, replica: 7 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -32.170028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.170028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.170028 (E_RNA) where: Base-Base interactions energy: -5.362 where: short stacking energy: -5.362 Base-Backbone interact. energy: -0.139 local terms energy: -26.668969 where: bonds (distance) C4'-P energy: -4.892 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.598 flat angles P-C4'-P energy: -5.614 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: 8, replica: 5 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -31.543507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.543507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.543507 (E_RNA) where: Base-Base interactions energy: -10.509 where: short stacking energy: -10.509 Base-Backbone interact. energy: -0.001 local terms energy: -21.033605 where: bonds (distance) C4'-P energy: -5.305 bonds (distance) P-C4' energy: -2.604 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -4.205 tors. eta vs tors. theta energy: -3.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -30.701606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.701606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.701606 (E_RNA) where: Base-Base interactions energy: -9.136 where: short stacking energy: -9.136 Base-Backbone interact. energy: -0.082 local terms energy: -21.484123 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.171 flat angles P-C4'-P energy: -1.674 tors. eta vs tors. theta energy: 0.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -28.888238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.888238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.888238 (E_RNA) where: Base-Base interactions energy: -7.410 where: short stacking energy: -7.487 Base-Backbone interact. energy: -0.173 local terms energy: -21.304722 where: bonds (distance) C4'-P energy: -4.669 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.396 flat angles P-C4'-P energy: -3.247 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: 1, replica: 3 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -41.539500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.539500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.539500 (E_RNA) where: Base-Base interactions energy: -14.454 where: short stacking energy: -14.454 Base-Backbone interact. energy: -0.042 local terms energy: -27.043827 where: bonds (distance) C4'-P energy: -6.286 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -7.115 flat angles P-C4'-P energy: -3.279 tors. eta vs tors. theta energy: -3.869 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: 8 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -39.663836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.663836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.663836 (E_RNA) where: Base-Base interactions energy: -11.673 where: short stacking energy: -11.673 Base-Backbone interact. energy: -0.000 local terms energy: -27.990358 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.948 flat angles P-C4'-P energy: -4.734 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: 3, replica: 6 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -37.200062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.200062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.200062 (E_RNA) where: Base-Base interactions energy: -10.359 where: short stacking energy: -10.359 Base-Backbone interact. energy: -0.006 local terms energy: -26.834889 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.330 flat angles C4'-P-C4' energy: -5.965 flat angles P-C4'-P energy: -3.636 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: 4, replica: 1 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -33.837655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.837655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.837655 (E_RNA) where: Base-Base interactions energy: -10.429 where: short stacking energy: -10.429 Base-Backbone interact. energy: 0.337 local terms energy: -23.745698 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -3.994 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: 5, replica: 4 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -31.901590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.901590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.901590 (E_RNA) where: Base-Base interactions energy: -7.589 where: short stacking energy: -7.589 Base-Backbone interact. energy: -0.044 local terms energy: -24.268243 where: bonds (distance) C4'-P energy: -5.814 bonds (distance) P-C4' energy: -6.235 flat angles C4'-P-C4' energy: -4.773 flat angles P-C4'-P energy: -5.771 tors. eta vs tors. theta energy: -1.676 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: 9 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -33.400973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.400973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.400973 (E_RNA) where: Base-Base interactions energy: -7.491 where: short stacking energy: -7.491 Base-Backbone interact. energy: -0.024 local terms energy: -25.885537 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -5.501 tors. eta vs tors. theta energy: 0.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -28.575829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.575829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.575829 (E_RNA) where: Base-Base interactions energy: -5.822 where: short stacking energy: -5.822 Base-Backbone interact. energy: -0.099 local terms energy: -22.654886 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -6.839 flat angles P-C4'-P energy: -2.503 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: 8, replica: 7 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -29.558818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.558818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.558818 (E_RNA) where: Base-Base interactions energy: -4.805 where: short stacking energy: -4.805 Base-Backbone interact. energy: -0.926 local terms energy: -23.827937 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.158 flat angles P-C4'-P energy: -3.375 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: 2 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -28.013230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.013230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.013230 (E_RNA) where: Base-Base interactions energy: -6.493 where: short stacking energy: -6.493 Base-Backbone interact. energy: -0.110 local terms energy: -21.410673 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.752 flat angles C4'-P-C4' energy: -4.344 flat angles P-C4'-P energy: -5.017 tors. eta vs tors. theta energy: 1.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -29.207359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.207359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.207359 (E_RNA) where: Base-Base interactions energy: -10.380 where: short stacking energy: -10.380 Base-Backbone interact. energy: -0.000 local terms energy: -18.826956 where: bonds (distance) C4'-P energy: -4.599 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -1.043 flat angles P-C4'-P energy: -5.652 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: 1, replica: 3 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -36.229798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.229798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.229798 (E_RNA) where: Base-Base interactions energy: -9.051 where: short stacking energy: -7.063 Base-Backbone interact. energy: -0.203 local terms energy: -26.975521 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.780 flat angles P-C4'-P energy: -3.174 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: 2, replica: 6 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -39.433467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.433467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.433467 (E_RNA) where: Base-Base interactions energy: -10.577 where: short stacking energy: -10.577 Base-Backbone interact. energy: -0.805 local terms energy: -28.051424 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.770 flat angles P-C4'-P energy: -4.928 tors. eta vs tors. theta energy: -1.526 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: 3, replica: 8 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -37.264397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.264397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.264397 (E_RNA) where: Base-Base interactions energy: -17.805 where: short stacking energy: -16.084 Base-Backbone interact. energy: -0.021 local terms energy: -19.438239 where: bonds (distance) C4'-P energy: -5.318 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -0.707 flat angles P-C4'-P energy: -4.802 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: 4, replica: 4 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -31.844001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.844001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.844001 (E_RNA) where: Base-Base interactions energy: -5.345 where: short stacking energy: -5.345 Base-Backbone interact. energy: -0.000 local terms energy: -26.499068 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.472 flat angles P-C4'-P energy: -2.832 tors. eta vs tors. theta energy: -3.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -33.086016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.086016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.086016 (E_RNA) where: Base-Base interactions energy: -14.295 where: short stacking energy: -14.295 Base-Backbone interact. energy: -0.037 local terms energy: -18.754370 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -5.031 flat angles C4'-P-C4' energy: -4.762 flat angles P-C4'-P energy: -2.652 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: 6, replica: 5 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -31.036123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.036123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.036123 (E_RNA) where: Base-Base interactions energy: -10.541 where: short stacking energy: -10.541 Base-Backbone interact. energy: -0.018 local terms energy: -20.476790 where: bonds (distance) C4'-P energy: -5.015 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -3.946 flat angles P-C4'-P energy: -3.805 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: 9 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -31.289841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.289841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.289841 (E_RNA) where: Base-Base interactions energy: -5.568 where: short stacking energy: -5.568 Base-Backbone interact. energy: -0.004 local terms energy: -25.718666 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -5.062 flat angles C4'-P-C4' energy: -5.613 flat angles P-C4'-P energy: -5.204 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: 8, replica: 2 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -32.896243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.896243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.896243 (E_RNA) where: Base-Base interactions energy: -8.179 where: short stacking energy: -8.159 Base-Backbone interact. energy: -0.015 local terms energy: -24.702747 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -5.631 flat angles P-C4'-P energy: -4.371 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: 9, replica: 7 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -31.383945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.383945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.383945 (E_RNA) where: Base-Base interactions energy: -5.876 where: short stacking energy: -3.571 Base-Backbone interact. energy: -0.132 local terms energy: -25.376407 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -6.235 flat angles P-C4'-P energy: -4.792 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: 10, replica: 10 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -28.101283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.101283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.101283 (E_RNA) where: Base-Base interactions energy: -6.156 where: short stacking energy: -6.156 Base-Backbone interact. energy: -0.050 local terms energy: -21.895954 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -6.019 flat angles C4'-P-C4' energy: -6.228 flat angles P-C4'-P energy: -4.056 tors. eta vs tors. theta energy: -0.453 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: 1, replica: 6 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -39.315253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.315253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.315253 (E_RNA) where: Base-Base interactions energy: -14.490 where: short stacking energy: -14.490 Base-Backbone interact. energy: -0.069 local terms energy: -24.756333 where: bonds (distance) C4'-P energy: -7.334 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -1.724 tors. eta vs tors. theta energy: -3.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -38.897336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.897336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.897336 (E_RNA) where: Base-Base interactions energy: -11.762 where: short stacking energy: -11.762 Base-Backbone interact. energy: -0.031 local terms energy: -27.103574 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -5.932 flat angles P-C4'-P energy: -4.054 tors. eta vs tors. theta energy: -3.559 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: 3, replica: 4 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -40.181746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.181746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.181746 (E_RNA) where: Base-Base interactions energy: -11.793 where: short stacking energy: -11.793 Base-Backbone interact. energy: -0.000 local terms energy: -28.389075 where: bonds (distance) C4'-P energy: -3.434 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -5.272 tors. eta vs tors. theta energy: -4.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -35.194734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.194734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.194734 (E_RNA) where: Base-Base interactions energy: -11.309 where: short stacking energy: -11.309 Base-Backbone interact. energy: -0.001 local terms energy: -23.885014 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -5.701 flat angles P-C4'-P energy: -3.608 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: 5, replica: 5 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -33.500014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.500014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.500014 (E_RNA) where: Base-Base interactions energy: -7.575 where: short stacking energy: -7.575 Base-Backbone interact. energy: -0.005 local terms energy: -25.920810 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.657 flat angles P-C4'-P energy: -2.557 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: 6, replica: 1 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -37.348710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.348710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.348710 (E_RNA) where: Base-Base interactions energy: -12.174 where: short stacking energy: -12.174 Base-Backbone interact. energy: -0.000 local terms energy: -25.174791 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.337 flat angles P-C4'-P energy: -4.394 tors. eta vs tors. theta energy: -1.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -34.942099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.942099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.942099 (E_RNA) where: Base-Base interactions energy: -10.759 where: short stacking energy: -10.759 Base-Backbone interact. energy: -0.003 local terms energy: -24.180662 where: bonds (distance) C4'-P energy: -5.280 bonds (distance) P-C4' energy: -5.223 flat angles C4'-P-C4' energy: -6.121 flat angles P-C4'-P energy: -4.097 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: 8, replica: 9 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -27.745595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.745595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.745595 (E_RNA) where: Base-Base interactions energy: -5.151 where: short stacking energy: -5.151 Base-Backbone interact. energy: -0.010 local terms energy: -22.583947 where: bonds (distance) C4'-P energy: -5.351 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -5.114 flat angles P-C4'-P energy: -3.652 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: 9, replica: 10 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -31.226393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.226393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.226393 (E_RNA) where: Base-Base interactions energy: -8.036 where: short stacking energy: -8.036 Base-Backbone interact. energy: -0.015 local terms energy: -23.175171 where: bonds (distance) C4'-P energy: -4.635 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -5.416 tors. eta vs tors. theta energy: -1.110 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: 7 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -33.100970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.100970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.100970 (E_RNA) where: Base-Base interactions energy: -7.551 where: short stacking energy: -7.551 Base-Backbone interact. energy: -0.001 local terms energy: -25.548670 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -4.851 flat angles P-C4'-P energy: -2.987 tors. eta vs tors. theta energy: -4.431 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: 6 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -41.035120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.035120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.035120 (E_RNA) where: Base-Base interactions energy: -15.442 where: short stacking energy: -15.442 Base-Backbone interact. energy: -0.000 local terms energy: -25.592917 where: bonds (distance) C4'-P energy: -5.619 bonds (distance) P-C4' energy: -6.832 flat angles C4'-P-C4' energy: -5.584 flat angles P-C4'-P energy: -3.135 tors. eta vs tors. theta energy: -4.423 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: 4 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -40.699626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.699626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.699626 (E_RNA) where: Base-Base interactions energy: -13.264 where: short stacking energy: -13.264 Base-Backbone interact. energy: -0.000 local terms energy: -27.435612 where: bonds (distance) C4'-P energy: -5.555 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.473 flat angles P-C4'-P energy: -2.964 tors. eta vs tors. theta energy: -5.329 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: 3, replica: 3 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -34.354860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.354860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.354860 (E_RNA) where: Base-Base interactions energy: -10.211 where: short stacking energy: -10.211 Base-Backbone interact. energy: -0.001 local terms energy: -24.142424 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.783 flat angles P-C4'-P energy: -3.189 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: 5 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -36.064675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.064675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.064675 (E_RNA) where: Base-Base interactions energy: -6.907 where: short stacking energy: -6.907 Base-Backbone interact. energy: -0.000 local terms energy: -29.157941 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.134 flat angles P-C4'-P energy: -5.673 tors. eta vs tors. theta energy: -3.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -32.790290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.790290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.790290 (E_RNA) where: Base-Base interactions energy: -6.597 where: short stacking energy: -6.597 Base-Backbone interact. energy: -0.090 local terms energy: -26.103259 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -3.226 flat angles P-C4'-P energy: -5.941 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: 6, replica: 2 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -32.106983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.106983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.106983 (E_RNA) where: Base-Base interactions energy: -6.752 where: short stacking energy: -6.752 Base-Backbone interact. energy: 0.093 local terms energy: -25.448267 where: bonds (distance) C4'-P energy: -6.151 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.533 flat angles P-C4'-P energy: -3.683 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: 7, replica: 1 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -30.527640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.527640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.527640 (E_RNA) where: Base-Base interactions energy: -7.397 where: short stacking energy: -7.397 Base-Backbone interact. energy: -0.011 local terms energy: -23.119651 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.289 flat angles P-C4'-P energy: -2.953 tors. eta vs tors. theta energy: -1.316 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: 8, replica: 10 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -30.370631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.370631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.370631 (E_RNA) where: Base-Base interactions energy: -6.328 where: short stacking energy: -6.328 Base-Backbone interact. energy: -0.024 local terms energy: -24.017936 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.427 flat angles P-C4'-P energy: -3.725 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: 261 Temperature: 1.300000 Total energy: -30.467860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.467860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.467860 (E_RNA) where: Base-Base interactions energy: -5.136 where: short stacking energy: -5.136 Base-Backbone interact. energy: -0.003 local terms energy: -25.328938 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -3.732 flat angles P-C4'-P energy: -5.046 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: 10, replica: 7 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -26.161115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.161115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.161115 (E_RNA) where: Base-Base interactions energy: -7.247 where: short stacking energy: -4.713 Base-Backbone interact. energy: -0.026 local terms energy: -18.888122 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -4.529 flat angles P-C4'-P energy: -2.314 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: 1, replica: 4 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -37.529763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.529763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.529763 (E_RNA) where: Base-Base interactions energy: -11.044 where: short stacking energy: -11.044 Base-Backbone interact. energy: -0.046 local terms energy: -26.440250 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -5.065 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: 6 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -35.604888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.604888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.604888 (E_RNA) where: Base-Base interactions energy: -10.852 where: short stacking energy: -10.852 Base-Backbone interact. energy: -0.007 local terms energy: -24.745572 where: bonds (distance) C4'-P energy: -5.094 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.600 flat angles P-C4'-P energy: -4.661 tors. eta vs tors. theta energy: -0.360 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: 262 Temperature: 1.000000 Total energy: -32.758375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.758375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.758375 (E_RNA) where: Base-Base interactions energy: -13.986 where: short stacking energy: -13.912 Base-Backbone interact. energy: -0.169 local terms energy: -18.602819 where: bonds (distance) C4'-P energy: -2.569 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -5.171 flat angles P-C4'-P energy: -0.829 tors. eta vs tors. theta energy: -2.968 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: 3 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -31.423966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.423966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.423966 (E_RNA) where: Base-Base interactions energy: -8.413 where: short stacking energy: -7.732 Base-Backbone interact. energy: -0.046 local terms energy: -22.964365 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -5.156 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: -0.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -36.146131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.146131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.146131 (E_RNA) where: Base-Base interactions energy: -10.590 where: short stacking energy: -10.590 Base-Backbone interact. energy: -0.000 local terms energy: -25.555927 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.079 flat angles C4'-P-C4' energy: -6.659 flat angles P-C4'-P energy: -3.670 tors. eta vs tors. theta energy: -2.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -31.059898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.059898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.059898 (E_RNA) where: Base-Base interactions energy: -8.095 where: short stacking energy: -8.095 Base-Backbone interact. energy: -0.067 local terms energy: -22.897847 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -5.427 flat angles C4'-P-C4' energy: -5.761 flat angles P-C4'-P energy: -3.514 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: 7, replica: 10 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -34.644117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.644117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.644117 (E_RNA) where: Base-Base interactions energy: -8.739 where: short stacking energy: -8.739 Base-Backbone interact. energy: -0.011 local terms energy: -25.894310 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -4.864 flat angles P-C4'-P energy: -6.022 tors. eta vs tors. theta energy: -4.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -31.570770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.570770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.570770 (E_RNA) where: Base-Base interactions energy: -9.228 where: short stacking energy: -7.424 Base-Backbone interact. energy: -0.035 local terms energy: -22.307910 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -3.358 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: 9, replica: 9 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -33.758294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.758294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.758294 (E_RNA) where: Base-Base interactions energy: -8.965 where: short stacking energy: -8.965 Base-Backbone interact. energy: -0.104 local terms energy: -24.689074 where: bonds (distance) C4'-P energy: -4.866 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.569 flat angles P-C4'-P energy: -5.336 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: 10, replica: 7 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -28.598575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.598575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.598575 (E_RNA) where: Base-Base interactions energy: -3.553 where: short stacking energy: -3.553 Base-Backbone interact. energy: -0.006 local terms energy: -25.040014 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -4.064 flat angles P-C4'-P energy: -5.679 tors. eta vs tors. theta energy: -1.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -43.578118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.578118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.578118 (E_RNA) where: Base-Base interactions energy: -14.639 where: short stacking energy: -14.639 Base-Backbone interact. energy: -0.039 local terms energy: -28.900347 where: bonds (distance) C4'-P energy: -4.989 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -7.223 flat angles P-C4'-P energy: -4.586 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: 5 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -39.414037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.414037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.414037 (E_RNA) where: Base-Base interactions energy: -9.653 where: short stacking energy: -9.653 Base-Backbone interact. energy: -0.000 local terms energy: -29.761028 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -7.297 flat angles P-C4'-P energy: -4.057 tors. eta vs tors. theta energy: -5.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -35.085450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.085450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.085450 (E_RNA) where: Base-Base interactions energy: -10.580 where: short stacking energy: -10.580 Base-Backbone interact. energy: -0.022 local terms energy: -24.484076 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -2.668 flat angles P-C4'-P energy: -3.807 tors. eta vs tors. theta energy: -4.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -36.151291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.151291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.151291 (E_RNA) where: Base-Base interactions energy: -8.945 where: short stacking energy: -8.945 Base-Backbone interact. energy: -0.008 local terms energy: -27.198131 where: bonds (distance) C4'-P energy: -4.406 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.365 flat angles P-C4'-P energy: -6.363 tors. eta vs tors. theta energy: -3.530 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: 5, replica: 3 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -32.563559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.563559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.563559 (E_RNA) where: Base-Base interactions energy: -8.171 where: short stacking energy: -8.171 Base-Backbone interact. energy: -0.076 local terms energy: -24.316840 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -4.205 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: 6, replica: 10 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -35.306075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.306075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.306075 (E_RNA) where: Base-Base interactions energy: -11.468 where: short stacking energy: -11.139 Base-Backbone interact. energy: -0.010 local terms energy: -23.828555 where: bonds (distance) C4'-P energy: -3.711 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.857 flat angles P-C4'-P energy: -5.746 tors. eta vs tors. theta energy: -1.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -29.175893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.175893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.175893 (E_RNA) where: Base-Base interactions energy: -2.874 where: short stacking energy: -2.874 Base-Backbone interact. energy: -0.011 local terms energy: -26.291190 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.428 flat angles P-C4'-P energy: -4.561 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: 8, replica: 1 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -30.077616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.077616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.077616 (E_RNA) where: Base-Base interactions energy: -10.069 where: short stacking energy: -10.069 Base-Backbone interact. energy: -0.179 local terms energy: -19.829626 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -4.157 flat angles C4'-P-C4' energy: -4.545 flat angles P-C4'-P energy: -3.066 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: 9, replica: 9 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -28.012151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.012151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.012151 (E_RNA) where: Base-Base interactions energy: -5.943 where: short stacking energy: -5.943 Base-Backbone interact. energy: -0.001 local terms energy: -22.067598 where: bonds (distance) C4'-P energy: -5.222 bonds (distance) P-C4' energy: -6.461 flat angles C4'-P-C4' energy: -7.057 flat angles P-C4'-P energy: -2.185 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: 10, replica: 7 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -29.506205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.506205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.506205 (E_RNA) where: Base-Base interactions energy: -5.101 where: short stacking energy: -4.214 Base-Backbone interact. energy: -0.014 local terms energy: -24.391632 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.924 flat angles P-C4'-P energy: -3.911 tors. eta vs tors. theta energy: -0.417 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: 1, replica: 5 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -37.828237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.828237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.828237 (E_RNA) where: Base-Base interactions energy: -14.217 where: short stacking energy: -14.217 Base-Backbone interact. energy: -0.000 local terms energy: -23.610902 where: bonds (distance) C4'-P energy: -6.075 bonds (distance) P-C4' energy: -6.558 flat angles C4'-P-C4' energy: -5.100 flat angles P-C4'-P energy: -2.942 tors. eta vs tors. theta energy: -2.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -34.944170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.944170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.944170 (E_RNA) where: Base-Base interactions energy: -9.145 where: short stacking energy: -9.145 Base-Backbone interact. energy: -0.014 local terms energy: -25.785505 where: bonds (distance) C4'-P energy: -6.754 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -5.097 flat angles P-C4'-P energy: -5.381 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: 3, replica: 2 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -33.922102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.922102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.922102 (E_RNA) where: Base-Base interactions energy: -5.717 where: short stacking energy: -5.817 Base-Backbone interact. energy: -0.098 local terms energy: -28.107519 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -6.919 flat angles P-C4'-P energy: -5.097 tors. eta vs tors. theta energy: -3.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -38.811311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.811311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.811311 (E_RNA) where: Base-Base interactions energy: -10.729 where: short stacking energy: -10.729 Base-Backbone interact. energy: -0.017 local terms energy: -28.065971 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -7.520 flat angles P-C4'-P energy: -3.410 tors. eta vs tors. theta energy: -3.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -33.067672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.067672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.067672 (E_RNA) where: Base-Base interactions energy: -11.035 where: short stacking energy: -8.579 Base-Backbone interact. energy: -0.084 local terms energy: -21.948561 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -5.262 flat angles C4'-P-C4' energy: -5.759 flat angles P-C4'-P energy: -2.990 tors. eta vs tors. theta energy: -1.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -31.534475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.534475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.534475 (E_RNA) where: Base-Base interactions energy: -9.207 where: short stacking energy: -9.207 Base-Backbone interact. energy: -0.004 local terms energy: -22.323751 where: bonds (distance) C4'-P energy: -5.248 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -5.218 flat angles P-C4'-P energy: -4.664 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: 7, replica: 1 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -29.985713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.985713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.985713 (E_RNA) where: Base-Base interactions energy: -5.118 where: short stacking energy: -5.118 Base-Backbone interact. energy: -0.002 local terms energy: -24.865965 where: bonds (distance) C4'-P energy: -5.355 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -5.417 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: 8, replica: 8 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -31.482169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.482169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.482169 (E_RNA) where: Base-Base interactions energy: -9.056 where: short stacking energy: -9.056 Base-Backbone interact. energy: -0.000 local terms energy: -22.425603 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -6.617 flat angles P-C4'-P energy: -1.425 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: 9, replica: 7 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -30.553316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.553316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.553316 (E_RNA) where: Base-Base interactions energy: -7.002 where: short stacking energy: -7.083 Base-Backbone interact. energy: -0.013 local terms energy: -23.539057 where: bonds (distance) C4'-P energy: -3.984 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.761 flat angles P-C4'-P energy: -4.385 tors. eta vs tors. theta energy: -0.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -31.222054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.222054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.222054 (E_RNA) where: Base-Base interactions energy: -4.406 where: short stacking energy: -4.406 Base-Backbone interact. energy: -0.013 local terms energy: -26.803656 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.906 flat angles P-C4'-P energy: -5.504 tors. eta vs tors. theta energy: -1.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -39.696427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.696427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.696427 (E_RNA) where: Base-Base interactions energy: -10.285 where: short stacking energy: -10.285 Base-Backbone interact. energy: -0.061 local terms energy: -29.350534 where: bonds (distance) C4'-P energy: -5.325 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -5.710 flat angles P-C4'-P energy: -5.741 tors. eta vs tors. theta energy: -5.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -37.783138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.783138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.783138 (E_RNA) where: Base-Base interactions energy: -11.348 where: short stacking energy: -11.348 Base-Backbone interact. energy: -0.064 local terms energy: -26.371320 where: bonds (distance) C4'-P energy: -3.977 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.760 flat angles P-C4'-P energy: -5.716 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: 3, replica: 4 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -37.512994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.512994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.512994 (E_RNA) where: Base-Base interactions energy: -12.366 where: short stacking energy: -11.704 Base-Backbone interact. energy: -0.100 local terms energy: -25.047311 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.213 flat angles C4'-P-C4' energy: -6.530 flat angles P-C4'-P energy: -1.756 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: 4, replica: 10 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -37.512814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.512814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.512814 (E_RNA) where: Base-Base interactions energy: -11.600 where: short stacking energy: -11.600 Base-Backbone interact. energy: -0.095 local terms energy: -25.817660 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.018 flat angles P-C4'-P energy: -5.723 tors. eta vs tors. theta energy: -2.630 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: 6 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -28.533890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.533890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.533890 (E_RNA) where: Base-Base interactions energy: -6.982 where: short stacking energy: -6.982 Base-Backbone interact. energy: -0.020 local terms energy: -21.532212 where: bonds (distance) C4'-P energy: -5.815 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -2.884 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: 6, replica: 1 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -34.468107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.468107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.468107 (E_RNA) where: Base-Base interactions energy: -7.283 where: short stacking energy: -7.283 Base-Backbone interact. energy: -0.007 local terms energy: -27.178705 where: bonds (distance) C4'-P energy: -5.707 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.146 flat angles P-C4'-P energy: -4.463 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: 7, replica: 3 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -34.281162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.281162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.281162 (E_RNA) where: Base-Base interactions energy: -5.637 where: short stacking energy: -5.637 Base-Backbone interact. energy: -0.366 local terms energy: -28.277944 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.639 flat angles P-C4'-P energy: -4.529 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: 8, replica: 7 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -28.747787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.747787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.747787 (E_RNA) where: Base-Base interactions energy: -7.615 where: short stacking energy: -7.938 Base-Backbone interact. energy: -0.010 local terms energy: -21.122675 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -5.455 flat angles C4'-P-C4' energy: -6.468 flat angles P-C4'-P energy: 1.101 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: 9, replica: 8 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -31.096453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.096453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.096453 (E_RNA) where: Base-Base interactions energy: -8.332 where: short stacking energy: -8.332 Base-Backbone interact. energy: -0.000 local terms energy: -22.764159 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -4.609 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -4.570 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: 10, replica: 9 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -32.835011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.835011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.835011 (E_RNA) where: Base-Base interactions energy: -4.907 where: short stacking energy: -4.907 Base-Backbone interact. energy: -0.003 local terms energy: -27.924894 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.793 flat angles P-C4'-P energy: -4.733 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: 2 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -36.257468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.257468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.257468 (E_RNA) where: Base-Base interactions energy: -11.693 where: short stacking energy: -11.341 Base-Backbone interact. energy: -0.255 local terms energy: -24.308691 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -6.167 flat angles P-C4'-P energy: -5.225 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: 2, replica: 5 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -33.936650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.936650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.936650 (E_RNA) where: Base-Base interactions energy: -8.499 where: short stacking energy: -8.499 Base-Backbone interact. energy: -0.057 local terms energy: -25.380417 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.796 flat angles P-C4'-P energy: -4.367 tors. eta vs tors. theta energy: -1.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -34.470161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.470161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.470161 (E_RNA) where: Base-Base interactions energy: -8.620 where: short stacking energy: -8.620 Base-Backbone interact. energy: -0.030 local terms energy: -25.820227 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.959 flat angles P-C4'-P energy: -3.619 tors. eta vs tors. theta energy: -1.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -35.208929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.208929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.208929 (E_RNA) where: Base-Base interactions energy: -11.518 where: short stacking energy: -11.518 Base-Backbone interact. energy: 0.091 local terms energy: -23.781485 where: bonds (distance) C4'-P energy: -3.890 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.483 flat angles P-C4'-P energy: -4.396 tors. eta vs tors. theta energy: -2.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -34.803272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.803272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.803272 (E_RNA) where: Base-Base interactions energy: -10.034 where: short stacking energy: -10.034 Base-Backbone interact. energy: -0.001 local terms energy: -24.768411 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -6.332 flat angles P-C4'-P energy: -3.571 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: 6, replica: 6 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -31.891220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.891220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.891220 (E_RNA) where: Base-Base interactions energy: -9.285 where: short stacking energy: -9.285 Base-Backbone interact. energy: -0.088 local terms energy: -22.518516 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.119 flat angles P-C4'-P energy: -4.325 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: 7 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -33.742424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.742424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.742424 (E_RNA) where: Base-Base interactions energy: -8.041 where: short stacking energy: -8.041 Base-Backbone interact. energy: -0.136 local terms energy: -25.565377 where: bonds (distance) C4'-P energy: -6.213 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.590 flat angles P-C4'-P energy: -5.398 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: 8, replica: 3 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -29.969947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.969947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.969947 (E_RNA) where: Base-Base interactions energy: -8.544 where: short stacking energy: -8.044 Base-Backbone interact. energy: -0.002 local terms energy: -21.424496 where: bonds (distance) C4'-P energy: -4.971 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -4.855 flat angles P-C4'-P energy: -2.895 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: 9, replica: 9 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -28.014619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.014619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.014619 (E_RNA) where: Base-Base interactions energy: -8.294 where: short stacking energy: -8.294 Base-Backbone interact. energy: -0.094 local terms energy: -19.626211 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -0.569 tors. eta vs tors. theta energy: -0.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -26.127886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.127886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.127886 (E_RNA) where: Base-Base interactions energy: -5.322 where: short stacking energy: -3.689 Base-Backbone interact. energy: -0.002 local terms energy: -20.804081 where: bonds (distance) C4'-P energy: -4.954 bonds (distance) P-C4' energy: -5.949 flat angles C4'-P-C4' energy: -6.616 flat angles P-C4'-P energy: -3.129 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: 1, replica: 2 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -37.945513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.945513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.945513 (E_RNA) where: Base-Base interactions energy: -10.927 where: short stacking energy: -10.927 Base-Backbone interact. energy: -0.004 local terms energy: -27.014222 where: bonds (distance) C4'-P energy: -5.512 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -7.496 flat angles P-C4'-P energy: -4.649 tors. eta vs tors. theta energy: -3.105 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: 4 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -38.724391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.724391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.724391 (E_RNA) where: Base-Base interactions energy: -14.194 where: short stacking energy: -14.194 Base-Backbone interact. energy: -0.046 local terms energy: -24.484187 where: bonds (distance) C4'-P energy: -5.016 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -6.621 flat angles P-C4'-P energy: -4.264 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: 5 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -34.018210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.018210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.018210 (E_RNA) where: Base-Base interactions energy: -10.158 where: short stacking energy: -10.158 Base-Backbone interact. energy: -0.025 local terms energy: -23.834929 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -4.518 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: -1.337 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: 267 Temperature: 1.050000 Total energy: -37.587961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.587961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.587961 (E_RNA) where: Base-Base interactions energy: -11.851 where: short stacking energy: -11.851 Base-Backbone interact. energy: -0.111 local terms energy: -25.626450 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.859 flat angles P-C4'-P energy: -2.855 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: 5, replica: 10 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -33.560649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.560649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.560649 (E_RNA) where: Base-Base interactions energy: -6.601 where: short stacking energy: -6.601 Base-Backbone interact. energy: -0.128 local terms energy: -26.831882 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.512 flat angles P-C4'-P energy: -4.591 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: 6, replica: 6 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -30.229660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.229660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.229660 (E_RNA) where: Base-Base interactions energy: -8.286 where: short stacking energy: -8.286 Base-Backbone interact. energy: -0.099 local terms energy: -21.845211 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -3.916 flat angles C4'-P-C4' energy: -6.918 flat angles P-C4'-P energy: -4.697 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: 7 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -31.885615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.885615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.885615 (E_RNA) where: Base-Base interactions energy: -10.432 where: short stacking energy: -7.336 Base-Backbone interact. energy: 0.401 local terms energy: -21.854664 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -5.381 flat angles P-C4'-P energy: -3.990 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: 8, replica: 9 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -35.361457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.361457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.361457 (E_RNA) where: Base-Base interactions energy: -10.108 where: short stacking energy: -10.108 Base-Backbone interact. energy: -0.057 local terms energy: -25.196753 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.229 flat angles P-C4'-P energy: -1.622 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: 9, replica: 3 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -27.014440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.014440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.014440 (E_RNA) where: Base-Base interactions energy: -9.813 where: short stacking energy: -9.813 Base-Backbone interact. energy: -0.011 local terms energy: -17.190151 where: bonds (distance) C4'-P energy: -3.136 bonds (distance) P-C4' energy: -3.066 flat angles C4'-P-C4' energy: -6.638 flat angles P-C4'-P energy: -4.399 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: 10, replica: 8 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -27.160592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.160592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.160592 (E_RNA) where: Base-Base interactions energy: -6.960 where: short stacking energy: -6.960 Base-Backbone interact. energy: -0.135 local terms energy: -20.066232 where: bonds (distance) C4'-P energy: -3.206 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -6.775 flat angles P-C4'-P energy: -6.302 tors. eta vs tors. theta energy: 2.630 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: 4 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -43.643048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.643048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.643048 (E_RNA) where: Base-Base interactions energy: -16.511 where: short stacking energy: -16.511 Base-Backbone interact. energy: -0.000 local terms energy: -27.131901 where: bonds (distance) C4'-P energy: -6.887 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -5.435 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: 2, replica: 2 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -33.062401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.062401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.062401 (E_RNA) where: Base-Base interactions energy: -8.995 where: short stacking energy: -8.995 Base-Backbone interact. energy: 0.101 local terms energy: -24.168053 where: bonds (distance) C4'-P energy: -4.838 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.114 flat angles P-C4'-P energy: -5.095 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: 3, replica: 1 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -38.211412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.211412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.211412 (E_RNA) where: Base-Base interactions energy: -12.557 where: short stacking energy: -10.527 Base-Backbone interact. energy: -0.054 local terms energy: -25.599851 where: bonds (distance) C4'-P energy: -6.117 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.264 flat angles P-C4'-P energy: -3.983 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: 4, replica: 5 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -32.151765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.151765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.151765 (E_RNA) where: Base-Base interactions energy: -9.554 where: short stacking energy: -9.554 Base-Backbone interact. energy: -0.005 local terms energy: -22.592669 where: bonds (distance) C4'-P energy: -5.325 bonds (distance) P-C4' energy: -7.010 flat angles C4'-P-C4' energy: -6.284 flat angles P-C4'-P energy: -3.619 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: 5, replica: 6 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -37.790385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.790385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.790385 (E_RNA) where: Base-Base interactions energy: -12.047 where: short stacking energy: -12.047 Base-Backbone interact. energy: -0.000 local terms energy: -25.742656 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -6.796 flat angles P-C4'-P energy: -4.438 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: 6, replica: 10 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -34.279483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.279483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.279483 (E_RNA) where: Base-Base interactions energy: -11.773 where: short stacking energy: -9.153 Base-Backbone interact. energy: -0.022 local terms energy: -22.485012 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -4.741 flat angles C4'-P-C4' energy: -6.583 flat angles P-C4'-P energy: -4.965 tors. eta vs tors. theta energy: -0.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -31.004749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.004749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.004749 (E_RNA) where: Base-Base interactions energy: -8.408 where: short stacking energy: -8.408 Base-Backbone interact. energy: -0.016 local terms energy: -22.581408 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -7.251 flat angles P-C4'-P energy: -4.240 tors. eta vs tors. theta energy: 2.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -27.895954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.895954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.895954 (E_RNA) where: Base-Base interactions energy: -8.691 where: short stacking energy: -8.691 Base-Backbone interact. energy: -0.006 local terms energy: -19.199411 where: bonds (distance) C4'-P energy: -3.666 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -5.739 flat angles P-C4'-P energy: -2.914 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: 9, replica: 8 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -29.746735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.746735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.746735 (E_RNA) where: Base-Base interactions energy: -5.907 where: short stacking energy: -1.603 Base-Backbone interact. energy: 0.114 local terms energy: -23.954531 where: bonds (distance) C4'-P energy: -5.607 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -7.468 flat angles P-C4'-P energy: -5.442 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: 10, replica: 3 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -25.247802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.247802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.247802 (E_RNA) where: Base-Base interactions energy: -7.463 where: short stacking energy: -7.463 Base-Backbone interact. energy: -0.008 local terms energy: -17.777379 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -1.454 flat angles P-C4'-P energy: -3.182 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: 269 Temperature: 0.900000 Total energy: -39.278360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.278360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.278360 (E_RNA) where: Base-Base interactions energy: -9.306 where: short stacking energy: -9.306 Base-Backbone interact. energy: -0.084 local terms energy: -29.888381 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.815 flat angles P-C4'-P energy: -6.126 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: 2, replica: 1 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -36.567159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.567159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.567159 (E_RNA) where: Base-Base interactions energy: -10.876 where: short stacking energy: -10.876 Base-Backbone interact. energy: -0.534 local terms energy: -25.157200 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -5.935 flat angles P-C4'-P energy: -4.003 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: 3, replica: 2 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -37.474600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.474600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.474600 (E_RNA) where: Base-Base interactions energy: -15.977 where: short stacking energy: -15.977 Base-Backbone interact. energy: -0.096 local terms energy: -21.401606 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -4.765 flat angles C4'-P-C4' energy: -6.456 flat angles P-C4'-P energy: -2.498 tors. eta vs tors. theta energy: -0.597 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: 6 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -35.559108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.559108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.559108 (E_RNA) where: Base-Base interactions energy: -12.619 where: short stacking energy: -12.619 Base-Backbone interact. energy: -0.000 local terms energy: -22.940132 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -6.326 flat angles C4'-P-C4' energy: -6.233 flat angles P-C4'-P energy: -3.677 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: 5, replica: 5 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -32.556201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.556201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.556201 (E_RNA) where: Base-Base interactions energy: -10.840 where: short stacking energy: -10.840 Base-Backbone interact. energy: -0.002 local terms energy: -21.714367 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -4.103 flat angles P-C4'-P energy: -5.045 tors. eta vs tors. theta energy: 0.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -30.267954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.267954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.267954 (E_RNA) where: Base-Base interactions energy: -5.682 where: short stacking energy: -5.682 Base-Backbone interact. energy: -0.010 local terms energy: -24.576541 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -4.991 flat angles P-C4'-P energy: -5.033 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: 7, replica: 10 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -30.722355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.722355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.722355 (E_RNA) where: Base-Base interactions energy: -7.545 where: short stacking energy: -7.545 Base-Backbone interact. energy: -0.006 local terms energy: -23.171131 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -3.684 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: 8, replica: 8 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -28.109376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.109376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.109376 (E_RNA) where: Base-Base interactions energy: -4.177 where: short stacking energy: -5.177 Base-Backbone interact. energy: -0.746 local terms energy: -23.186344 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.425 flat angles P-C4'-P energy: -5.086 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: 9, replica: 7 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -28.607767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.607767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.607767 (E_RNA) where: Base-Base interactions energy: -2.740 where: short stacking energy: -2.740 Base-Backbone interact. energy: -0.005 local terms energy: -25.863254 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -6.109 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: 3 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -28.864191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.864191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.864191 (E_RNA) where: Base-Base interactions energy: -7.308 where: short stacking energy: -6.729 Base-Backbone interact. energy: -0.000 local terms energy: -21.555481 where: bonds (distance) C4'-P energy: -5.085 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.679 flat angles P-C4'-P energy: -4.802 tors. eta vs tors. theta energy: 1.308 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: 1 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -39.794680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.794680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.794680 (E_RNA) where: Base-Base interactions energy: -11.772 where: short stacking energy: -11.772 Base-Backbone interact. energy: -0.001 local terms energy: -28.021517 where: bonds (distance) C4'-P energy: -6.009 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -5.675 tors. eta vs tors. theta energy: -4.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -35.680349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.680349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.680349 (E_RNA) where: Base-Base interactions energy: -11.715 where: short stacking energy: -11.715 Base-Backbone interact. energy: -0.105 local terms energy: -23.860664 where: bonds (distance) C4'-P energy: -4.464 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.314 flat angles P-C4'-P energy: -3.527 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: 3, replica: 6 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -42.003642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.003642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.003642 (E_RNA) where: Base-Base interactions energy: -14.481 where: short stacking energy: -14.481 Base-Backbone interact. energy: -0.000 local terms energy: -27.522125 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -4.804 flat angles P-C4'-P energy: -5.378 tors. eta vs tors. theta energy: -3.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -37.297813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.297813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.297813 (E_RNA) where: Base-Base interactions energy: -10.481 where: short stacking energy: -10.481 Base-Backbone interact. energy: -0.042 local terms energy: -26.775028 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -5.869 flat angles P-C4'-P energy: -5.505 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: 5, replica: 9 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -37.772822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.772822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.772822 (E_RNA) where: Base-Base interactions energy: -10.422 where: short stacking energy: -10.422 Base-Backbone interact. energy: -0.021 local terms energy: -27.329882 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.278 flat angles P-C4'-P energy: -5.028 tors. eta vs tors. theta energy: -1.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -34.023169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.023169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.023169 (E_RNA) where: Base-Base interactions energy: -9.500 where: short stacking energy: -9.500 Base-Backbone interact. energy: -0.001 local terms energy: -24.522860 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.339 flat angles C4'-P-C4' energy: -4.546 flat angles P-C4'-P energy: -3.324 tors. eta vs tors. theta energy: -3.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -28.827316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.827316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.827316 (E_RNA) where: Base-Base interactions energy: -7.108 where: short stacking energy: -5.697 Base-Backbone interact. energy: -0.070 local terms energy: -21.649456 where: bonds (distance) C4'-P energy: -5.843 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: -5.047 tors. eta vs tors. theta energy: 0.677 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: 10 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -30.388984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.388984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.388984 (E_RNA) where: Base-Base interactions energy: -7.183 where: short stacking energy: -7.183 Base-Backbone interact. energy: -0.003 local terms energy: -23.203500 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -5.613 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: 9, replica: 3 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -26.710196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.710196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.710196 (E_RNA) where: Base-Base interactions energy: -5.506 where: short stacking energy: -5.506 Base-Backbone interact. energy: -0.106 local terms energy: -21.097484 where: bonds (distance) C4'-P energy: -6.489 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -3.572 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: 7 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -28.013754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.013754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.013754 (E_RNA) where: Base-Base interactions energy: -7.204 where: short stacking energy: -7.204 Base-Backbone interact. energy: -0.001 local terms energy: -20.809532 where: bonds (distance) C4'-P energy: -5.364 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.140 flat angles P-C4'-P energy: -2.328 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: 1 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -41.750317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.750317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.750317 (E_RNA) where: Base-Base interactions energy: -14.641 where: short stacking energy: -14.641 Base-Backbone interact. energy: -0.000 local terms energy: -27.109326 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -4.585 flat angles P-C4'-P energy: -3.522 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: 2, replica: 6 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -42.888462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.888462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.888462 (E_RNA) where: Base-Base interactions energy: -16.045 where: short stacking energy: -16.045 Base-Backbone interact. energy: -0.032 local terms energy: -26.811408 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -6.475 flat angles P-C4'-P energy: -4.852 tors. eta vs tors. theta energy: -3.071 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: 4 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -35.429398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.429398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.429398 (E_RNA) where: Base-Base interactions energy: -9.289 where: short stacking energy: -9.289 Base-Backbone interact. energy: -0.000 local terms energy: -26.140491 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -7.112 flat angles P-C4'-P energy: -2.939 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: 4, replica: 9 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -37.215447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.215447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.215447 (E_RNA) where: Base-Base interactions energy: -11.679 where: short stacking energy: -11.679 Base-Backbone interact. energy: -0.002 local terms energy: -25.533995 where: bonds (distance) C4'-P energy: -5.674 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -6.449 flat angles P-C4'-P energy: -3.939 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: 5, replica: 2 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -28.748765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.748765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.748765 (E_RNA) where: Base-Base interactions energy: -7.599 where: short stacking energy: -7.599 Base-Backbone interact. energy: -0.100 local terms energy: -21.049220 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -1.643 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: 8 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -32.700528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.700528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.700528 (E_RNA) where: Base-Base interactions energy: -10.434 where: short stacking energy: -10.434 Base-Backbone interact. energy: -0.000 local terms energy: -22.266407 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -3.535 flat angles C4'-P-C4' energy: -5.654 flat angles P-C4'-P energy: -4.513 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: 7, replica: 5 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -33.368568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.368568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.368568 (E_RNA) where: Base-Base interactions energy: -9.793 where: short stacking energy: -9.793 Base-Backbone interact. energy: -0.026 local terms energy: -23.549027 where: bonds (distance) C4'-P energy: -5.264 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -3.378 flat angles P-C4'-P energy: -5.679 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: 8, replica: 3 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -30.461112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.461112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.461112 (E_RNA) where: Base-Base interactions energy: -4.347 where: short stacking energy: -4.347 Base-Backbone interact. energy: -0.003 local terms energy: -26.111236 where: bonds (distance) C4'-P energy: -5.325 bonds (distance) P-C4' energy: -6.814 flat angles C4'-P-C4' energy: -6.638 flat angles P-C4'-P energy: -4.711 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: 9, replica: 10 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -33.147049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.147049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.147049 (E_RNA) where: Base-Base interactions energy: -9.223 where: short stacking energy: -9.223 Base-Backbone interact. energy: -0.030 local terms energy: -23.894201 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -5.504 flat angles C4'-P-C4' energy: -7.269 flat angles P-C4'-P energy: -3.111 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: 10, replica: 7 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -29.567846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.567846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.567846 (E_RNA) where: Base-Base interactions energy: -6.213 where: short stacking energy: -6.213 Base-Backbone interact. energy: -0.046 local terms energy: -23.308767 where: bonds (distance) C4'-P energy: -6.267 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -3.980 flat angles P-C4'-P energy: -5.109 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: 1, replica: 6 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -38.232041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.232041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.232041 (E_RNA) where: Base-Base interactions energy: -11.939 where: short stacking energy: -11.939 Base-Backbone interact. energy: -0.002 local terms energy: -26.291190 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.042 flat angles P-C4'-P energy: -2.277 tors. eta vs tors. theta energy: -3.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -41.148628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.148628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.148628 (E_RNA) where: Base-Base interactions energy: -11.410 where: short stacking energy: -11.410 Base-Backbone interact. energy: -0.373 local terms energy: -29.365836 where: bonds (distance) C4'-P energy: -5.741 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -7.253 flat angles P-C4'-P energy: -3.943 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: 3, replica: 9 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -32.133644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.133644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.133644 (E_RNA) where: Base-Base interactions energy: -6.336 where: short stacking energy: -6.336 Base-Backbone interact. energy: 0.046 local terms energy: -25.843814 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.372 flat angles P-C4'-P energy: -5.397 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: 4, replica: 4 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -31.596512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.596512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.596512 (E_RNA) where: Base-Base interactions energy: -4.118 where: short stacking energy: -4.118 Base-Backbone interact. energy: -0.156 local terms energy: -27.322094 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -7.420 flat angles P-C4'-P energy: -6.243 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: 5, replica: 8 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -33.809163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.809163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.809163 (E_RNA) where: Base-Base interactions energy: -12.135 where: short stacking energy: -12.135 Base-Backbone interact. energy: -0.001 local terms energy: -21.673205 where: bonds (distance) C4'-P energy: -5.877 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.938 flat angles P-C4'-P energy: -2.536 tors. eta vs tors. theta energy: -0.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -28.382356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.382356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.382356 (E_RNA) where: Base-Base interactions energy: -5.558 where: short stacking energy: -5.558 Base-Backbone interact. energy: -0.028 local terms energy: -22.796613 where: bonds (distance) C4'-P energy: -5.814 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -5.726 flat angles P-C4'-P energy: -4.642 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: 7, replica: 3 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -33.092497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.092497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.092497 (E_RNA) where: Base-Base interactions energy: -9.500 where: short stacking energy: -9.500 Base-Backbone interact. energy: 0.377 local terms energy: -23.969780 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -5.611 tors. eta vs tors. theta energy: -2.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -31.602147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.602147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.602147 (E_RNA) where: Base-Base interactions energy: -7.506 where: short stacking energy: -7.506 Base-Backbone interact. energy: -0.007 local terms energy: -24.089694 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.946 flat angles P-C4'-P energy: -4.934 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: 9, replica: 7 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -30.785201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.785201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.785201 (E_RNA) where: Base-Base interactions energy: -10.197 where: short stacking energy: -10.214 Base-Backbone interact. energy: -0.004 local terms energy: -20.584137 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -4.808 flat angles P-C4'-P energy: -2.050 tors. eta vs tors. theta energy: -1.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -28.088252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.088252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.088252 (E_RNA) where: Base-Base interactions energy: -7.657 where: short stacking energy: -7.657 Base-Backbone interact. energy: -0.000 local terms energy: -20.430777 where: bonds (distance) C4'-P energy: -5.835 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -2.755 flat angles P-C4'-P energy: -2.656 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: 1, replica: 6 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -40.689992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.689992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.689992 (E_RNA) where: Base-Base interactions energy: -15.441 where: short stacking energy: -15.441 Base-Backbone interact. energy: -0.100 local terms energy: -25.149520 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -5.513 flat angles P-C4'-P energy: -4.631 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: 2, replica: 1 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -34.705263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.705263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.705263 (E_RNA) where: Base-Base interactions energy: -7.397 where: short stacking energy: -7.397 Base-Backbone interact. energy: -0.001 local terms energy: -27.307345 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -5.527 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: 3, replica: 9 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -39.434736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.434736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.434736 (E_RNA) where: Base-Base interactions energy: -12.722 where: short stacking energy: -10.609 Base-Backbone interact. energy: -0.012 local terms energy: -26.700937 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.144 flat angles P-C4'-P energy: -4.897 tors. eta vs tors. theta energy: -3.136 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: 8 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -34.713975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.713975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.713975 (E_RNA) where: Base-Base interactions energy: -8.170 where: short stacking energy: -8.170 Base-Backbone interact. energy: -0.049 local terms energy: -26.495048 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.599 flat angles P-C4'-P energy: -4.567 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: 5, replica: 4 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -32.181144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.181144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.181144 (E_RNA) where: Base-Base interactions energy: -8.485 where: short stacking energy: -5.885 Base-Backbone interact. energy: -0.001 local terms energy: -23.694963 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -5.063 flat angles C4'-P-C4' energy: -5.169 flat angles P-C4'-P energy: -3.457 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: 6, replica: 3 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -30.668832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.668832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.668832 (E_RNA) where: Base-Base interactions energy: -8.801 where: short stacking energy: -8.801 Base-Backbone interact. energy: -0.019 local terms energy: -21.849118 where: bonds (distance) C4'-P energy: -4.838 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.444 flat angles P-C4'-P energy: -2.215 tors. eta vs tors. theta energy: -0.563 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: 2 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -32.252473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.252473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.252473 (E_RNA) where: Base-Base interactions energy: -8.339 where: short stacking energy: -8.339 Base-Backbone interact. energy: -0.048 local terms energy: -23.865570 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -5.484 flat angles C4'-P-C4' energy: -5.549 flat angles P-C4'-P energy: -4.339 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: 8, replica: 7 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -31.374993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.374993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.374993 (E_RNA) where: Base-Base interactions energy: -6.879 where: short stacking energy: -6.879 Base-Backbone interact. energy: -0.002 local terms energy: -24.493761 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -3.426 tors. eta vs tors. theta energy: -2.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -31.365785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.365785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.365785 (E_RNA) where: Base-Base interactions energy: -4.831 where: short stacking energy: -4.831 Base-Backbone interact. energy: -0.552 local terms energy: -25.982878 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.594 flat angles P-C4'-P energy: -5.299 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: 10 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -27.034387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.034387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.034387 (E_RNA) where: Base-Base interactions energy: -4.195 where: short stacking energy: -4.493 Base-Backbone interact. energy: -0.030 local terms energy: -22.809438 where: bonds (distance) C4'-P energy: -5.165 bonds (distance) P-C4' energy: -5.992 flat angles C4'-P-C4' energy: -5.119 flat angles P-C4'-P energy: -4.925 tors. eta vs tors. theta energy: -1.608 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: 1, replica: 1 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -37.654908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.654908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.654908 (E_RNA) where: Base-Base interactions energy: -11.542 where: short stacking energy: -11.542 Base-Backbone interact. energy: 0.419 local terms energy: -26.531951 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -5.999 flat angles P-C4'-P energy: -4.548 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: 2, replica: 6 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -41.976615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.976615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.976615 (E_RNA) where: Base-Base interactions energy: -16.075 where: short stacking energy: -16.075 Base-Backbone interact. energy: -0.003 local terms energy: -25.898854 where: bonds (distance) C4'-P energy: -5.463 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -2.672 tors. eta vs tors. theta energy: -3.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -36.212652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.212652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.212652 (E_RNA) where: Base-Base interactions energy: -12.661 where: short stacking energy: -11.429 Base-Backbone interact. energy: -0.060 local terms energy: -23.490881 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -4.154 flat angles P-C4'-P energy: -4.842 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: 4, replica: 9 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -40.039762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.039762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.039762 (E_RNA) where: Base-Base interactions energy: -13.556 where: short stacking energy: -13.556 Base-Backbone interact. energy: -0.000 local terms energy: -26.483228 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.084 flat angles C4'-P-C4' energy: -5.983 flat angles P-C4'-P energy: -4.792 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: 5, replica: 3 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -35.643199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.643199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.643199 (E_RNA) where: Base-Base interactions energy: -12.805 where: short stacking energy: -12.805 Base-Backbone interact. energy: -0.120 local terms energy: -22.718524 where: bonds (distance) C4'-P energy: -6.001 bonds (distance) P-C4' energy: -6.326 flat angles C4'-P-C4' energy: -5.894 flat angles P-C4'-P energy: -3.067 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: 6, replica: 4 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -31.077914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.077914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.077914 (E_RNA) where: Base-Base interactions energy: -9.059 where: short stacking energy: -9.059 Base-Backbone interact. energy: -0.173 local terms energy: -21.845541 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -6.315 flat angles C4'-P-C4' energy: -4.768 flat angles P-C4'-P energy: -2.870 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: 7, replica: 7 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -30.104271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.104271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.104271 (E_RNA) where: Base-Base interactions energy: -4.938 where: short stacking energy: -4.938 Base-Backbone interact. energy: -0.000 local terms energy: -25.166092 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.039 flat angles P-C4'-P energy: -3.976 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: 2 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -37.639991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.639991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.639991 (E_RNA) where: Base-Base interactions energy: -11.958 where: short stacking energy: -11.958 Base-Backbone interact. energy: -0.002 local terms energy: -25.680312 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -4.365 flat angles P-C4'-P energy: -5.082 tors. eta vs tors. theta energy: -4.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -32.045504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.045504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.045504 (E_RNA) where: Base-Base interactions energy: -7.324 where: short stacking energy: -7.324 Base-Backbone interact. energy: -0.006 local terms energy: -24.715111 where: bonds (distance) C4'-P energy: -5.310 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.134 flat angles P-C4'-P energy: -3.657 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: 10, replica: 5 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -27.621861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.621861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.621861 (E_RNA) where: Base-Base interactions energy: -4.985 where: short stacking energy: -4.177 Base-Backbone interact. energy: -0.151 local terms energy: -22.485882 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.602 flat angles P-C4'-P energy: -5.173 tors. eta vs tors. theta energy: 1.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -40.055520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.055520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.055520 (E_RNA) where: Base-Base interactions energy: -14.639 where: short stacking energy: -14.639 Base-Backbone interact. energy: -0.095 local terms energy: -25.321607 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -6.072 flat angles C4'-P-C4' energy: -4.523 flat angles P-C4'-P energy: -3.429 tors. eta vs tors. theta energy: -4.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -34.063332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.063332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.063332 (E_RNA) where: Base-Base interactions energy: -11.098 where: short stacking energy: -11.098 Base-Backbone interact. energy: -0.030 local terms energy: -22.935709 where: bonds (distance) C4'-P energy: -4.589 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -3.953 flat angles P-C4'-P energy: -5.194 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: 3, replica: 6 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -36.489929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.489929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.489929 (E_RNA) where: Base-Base interactions energy: -12.837 where: short stacking energy: -12.669 Base-Backbone interact. energy: -0.036 local terms energy: -23.617420 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.277 flat angles P-C4'-P energy: -3.783 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: 4, replica: 3 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -35.207119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.207119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.207119 (E_RNA) where: Base-Base interactions energy: -9.908 where: short stacking energy: -9.908 Base-Backbone interact. energy: -0.000 local terms energy: -25.299034 where: bonds (distance) C4'-P energy: -6.025 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.089 flat angles P-C4'-P energy: -4.288 tors. eta vs tors. theta energy: -2.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -33.391676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.391676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.391676 (E_RNA) where: Base-Base interactions energy: -8.911 where: short stacking energy: -8.911 Base-Backbone interact. energy: -0.000 local terms energy: -24.480813 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -3.026 flat angles P-C4'-P energy: -5.044 tors. eta vs tors. theta energy: -3.031 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: 7 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -31.236297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.236297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.236297 (E_RNA) where: Base-Base interactions energy: -6.968 where: short stacking energy: -6.346 Base-Backbone interact. energy: -0.025 local terms energy: -24.242750 where: bonds (distance) C4'-P energy: -4.739 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.625 flat angles P-C4'-P energy: -5.107 tors. eta vs tors. theta energy: 0.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -30.627053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.627053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.627053 (E_RNA) where: Base-Base interactions energy: -6.853 where: short stacking energy: -6.853 Base-Backbone interact. energy: 0.508 local terms energy: -24.282585 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -4.763 flat angles P-C4'-P energy: -3.376 tors. eta vs tors. theta energy: -1.623 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: 10 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -29.896636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.896636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.896636 (E_RNA) where: Base-Base interactions energy: -7.066 where: short stacking energy: -7.066 Base-Backbone interact. energy: -0.005 local terms energy: -22.825261 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.896 flat angles P-C4'-P energy: -0.639 tors. eta vs tors. theta energy: -3.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -31.943596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.943596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.943596 (E_RNA) where: Base-Base interactions energy: -5.813 where: short stacking energy: -6.065 Base-Backbone interact. energy: -0.062 local terms energy: -26.068581 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.376 flat angles P-C4'-P energy: -2.340 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: 10, replica: 5 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -31.265416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.265416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.265416 (E_RNA) where: Base-Base interactions energy: -8.917 where: short stacking energy: -8.917 Base-Backbone interact. energy: -0.069 local terms energy: -22.279460 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -6.072 flat angles P-C4'-P energy: -4.928 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: 8 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -38.328610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.328610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.328610 (E_RNA) where: Base-Base interactions energy: -10.611 where: short stacking energy: -10.611 Base-Backbone interact. energy: -0.005 local terms energy: -27.712803 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -6.575 flat angles C4'-P-C4' energy: -6.977 flat angles P-C4'-P energy: -6.044 tors. eta vs tors. theta energy: -1.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -38.650472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.650472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.650472 (E_RNA) where: Base-Base interactions energy: -13.098 where: short stacking energy: -13.098 Base-Backbone interact. energy: -0.004 local terms energy: -25.548377 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -5.001 flat angles C4'-P-C4' energy: -6.379 flat angles P-C4'-P energy: -5.678 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: 3, replica: 3 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -38.377190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.377190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.377190 (E_RNA) where: Base-Base interactions energy: -12.943 where: short stacking energy: -12.943 Base-Backbone interact. energy: -0.002 local terms energy: -25.432512 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -4.219 flat angles P-C4'-P energy: -4.673 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: 4, replica: 6 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -36.757814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.757814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.757814 (E_RNA) where: Base-Base interactions energy: -13.986 where: short stacking energy: -13.986 Base-Backbone interact. energy: 2.197 local terms energy: -24.969188 where: bonds (distance) C4'-P energy: -3.571 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -3.377 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: -6.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -32.803414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.803414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.803414 (E_RNA) where: Base-Base interactions energy: -4.939 where: short stacking energy: -4.939 Base-Backbone interact. energy: -0.000 local terms energy: -27.864203 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.533 flat angles P-C4'-P energy: -5.336 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: 6, replica: 9 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -30.874070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.874070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.874070 (E_RNA) where: Base-Base interactions energy: -8.026 where: short stacking energy: -8.026 Base-Backbone interact. energy: -0.018 local terms energy: -22.830536 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -5.513 flat angles C4'-P-C4' energy: -4.673 flat angles P-C4'-P energy: -2.625 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: 7, replica: 10 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -31.859845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.859845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.859845 (E_RNA) where: Base-Base interactions energy: -7.337 where: short stacking energy: -7.337 Base-Backbone interact. energy: -0.080 local terms energy: -24.442576 where: bonds (distance) C4'-P energy: -6.237 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.715 flat angles P-C4'-P energy: -4.402 tors. eta vs tors. theta energy: -0.235 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: 276 Temperature: 1.250000 Total energy: -31.763958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.763958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.763958 (E_RNA) where: Base-Base interactions energy: -8.265 where: short stacking energy: -8.265 Base-Backbone interact. energy: -0.111 local terms energy: -23.387245 where: bonds (distance) C4'-P energy: -4.183 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.330 flat angles P-C4'-P energy: -4.956 tors. eta vs tors. theta energy: -2.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -32.329506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.329506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.329506 (E_RNA) where: Base-Base interactions energy: -8.035 where: short stacking energy: -8.035 Base-Backbone interact. energy: -0.070 local terms energy: -24.224472 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -5.861 flat angles P-C4'-P energy: -4.794 tors. eta vs tors. theta energy: -0.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -29.855190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.855190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.855190 (E_RNA) where: Base-Base interactions energy: -6.234 where: short stacking energy: -6.234 Base-Backbone interact. energy: -0.009 local terms energy: -23.612982 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -5.593 flat angles P-C4'-P energy: -5.750 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: 1, replica: 8 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -38.633541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.633541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.633541 (E_RNA) where: Base-Base interactions energy: -10.385 where: short stacking energy: -10.385 Base-Backbone interact. energy: -0.000 local terms energy: -28.247980 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.777 flat angles C4'-P-C4' energy: -7.419 flat angles P-C4'-P energy: -6.279 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: 3 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -38.424558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.424558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.424558 (E_RNA) where: Base-Base interactions energy: -9.252 where: short stacking energy: -7.864 Base-Backbone interact. energy: -0.104 local terms energy: -29.068891 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.512 flat angles P-C4'-P energy: -5.356 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: 1 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -37.825238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.825238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.825238 (E_RNA) where: Base-Base interactions energy: -12.052 where: short stacking energy: -12.052 Base-Backbone interact. energy: -0.000 local terms energy: -25.773185 where: bonds (distance) C4'-P energy: -4.957 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.562 flat angles P-C4'-P energy: -5.023 tors. eta vs tors. theta energy: -2.693 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: 277 Temperature: 1.050000 Total energy: -35.599819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.599819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.599819 (E_RNA) where: Base-Base interactions energy: -10.787 where: short stacking energy: -10.787 Base-Backbone interact. energy: -0.025 local terms energy: -24.788250 where: bonds (distance) C4'-P energy: -3.907 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.510 flat angles P-C4'-P energy: -5.511 tors. eta vs tors. theta energy: -1.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -33.510321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.510321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.510321 (E_RNA) where: Base-Base interactions energy: -10.914 where: short stacking energy: -10.914 Base-Backbone interact. energy: -0.083 local terms energy: -22.513194 where: bonds (distance) C4'-P energy: -5.239 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.775 flat angles P-C4'-P energy: -4.214 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: 6, replica: 10 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -30.946647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.946647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.946647 (E_RNA) where: Base-Base interactions energy: -8.368 where: short stacking energy: -8.368 Base-Backbone interact. energy: -0.074 local terms energy: -22.504366 where: bonds (distance) C4'-P energy: -5.227 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.609 flat angles P-C4'-P energy: -1.829 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: 7, replica: 9 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -31.387757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.387757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.387757 (E_RNA) where: Base-Base interactions energy: -6.861 where: short stacking energy: -6.861 Base-Backbone interact. energy: -0.092 local terms energy: -24.434479 where: bonds (distance) C4'-P energy: -7.334 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -2.820 flat angles P-C4'-P energy: -5.086 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: 8, replica: 5 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -28.687757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.687757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.687757 (E_RNA) where: Base-Base interactions energy: -3.637 where: short stacking energy: -3.637 Base-Backbone interact. energy: -0.006 local terms energy: -25.045096 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -5.749 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -5.349 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: 9, replica: 4 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -28.237962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.237962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.237962 (E_RNA) where: Base-Base interactions energy: -4.989 where: short stacking energy: -4.989 Base-Backbone interact. energy: -0.033 local terms energy: -23.215897 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -5.618 flat angles P-C4'-P energy: -4.105 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: 10, replica: 2 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -27.151696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.151696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.151696 (E_RNA) where: Base-Base interactions energy: -8.814 where: short stacking energy: -8.814 Base-Backbone interact. energy: -0.075 local terms energy: -18.262606 where: bonds (distance) C4'-P energy: -4.006 bonds (distance) P-C4' energy: -6.573 flat angles C4'-P-C4' energy: -7.140 flat angles P-C4'-P energy: -1.504 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: 1, replica: 3 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -38.000033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.000033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.000033 (E_RNA) where: Base-Base interactions energy: -10.977 where: short stacking energy: -10.977 Base-Backbone interact. energy: -0.002 local terms energy: -27.021002 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.414 flat angles P-C4'-P energy: -4.530 tors. eta vs tors. theta energy: -2.952 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: 8 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -37.142385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.142385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.142385 (E_RNA) where: Base-Base interactions energy: -9.975 where: short stacking energy: -9.975 Base-Backbone interact. energy: -0.000 local terms energy: -27.167090 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -6.494 flat angles C4'-P-C4' energy: -4.530 flat angles P-C4'-P energy: -3.648 tors. eta vs tors. theta energy: -5.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -34.907395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.907395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.907395 (E_RNA) where: Base-Base interactions energy: -11.606 where: short stacking energy: -11.606 Base-Backbone interact. energy: -0.094 local terms energy: -23.206502 where: bonds (distance) C4'-P energy: -4.358 bonds (distance) P-C4' energy: -5.709 flat angles C4'-P-C4' energy: -6.707 flat angles P-C4'-P energy: -5.030 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: 4, replica: 1 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -35.131969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.131969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.131969 (E_RNA) where: Base-Base interactions energy: -8.605 where: short stacking energy: -8.605 Base-Backbone interact. energy: -0.108 local terms energy: -26.419597 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.933 flat angles P-C4'-P energy: -4.697 tors. eta vs tors. theta energy: -2.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -33.792692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.792692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.792692 (E_RNA) where: Base-Base interactions energy: -8.570 where: short stacking energy: -8.570 Base-Backbone interact. energy: -0.000 local terms energy: -25.222571 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.242 flat angles P-C4'-P energy: -2.304 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: 6 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -29.951194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.951194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.951194 (E_RNA) where: Base-Base interactions energy: -4.858 where: short stacking energy: -4.858 Base-Backbone interact. energy: -0.192 local terms energy: -24.901470 where: bonds (distance) C4'-P energy: -5.351 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.846 flat angles P-C4'-P energy: -5.729 tors. eta vs tors. theta energy: 0.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -37.855430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.855430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.855430 (E_RNA) where: Base-Base interactions energy: -12.411 where: short stacking energy: -12.411 Base-Backbone interact. energy: -0.000 local terms energy: -25.444193 where: bonds (distance) C4'-P energy: -5.566 bonds (distance) P-C4' energy: -6.103 flat angles C4'-P-C4' energy: -4.529 flat angles P-C4'-P energy: -3.810 tors. eta vs tors. theta energy: -5.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -27.331294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.331294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.331294 (E_RNA) where: Base-Base interactions energy: -6.397 where: short stacking energy: -6.397 Base-Backbone interact. energy: -0.098 local terms energy: -20.835983 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -3.774 flat angles P-C4'-P energy: -2.594 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: 2 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -29.581832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.581832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.581832 (E_RNA) where: Base-Base interactions energy: -4.188 where: short stacking energy: -4.188 Base-Backbone interact. energy: -0.055 local terms energy: -25.339209 where: bonds (distance) C4'-P energy: -4.449 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -7.115 flat angles P-C4'-P energy: -4.487 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: 4 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -32.847767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.847767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.847767 (E_RNA) where: Base-Base interactions energy: -12.596 where: short stacking energy: -12.596 Base-Backbone interact. energy: -0.003 local terms energy: -20.248294 where: bonds (distance) C4'-P energy: -2.929 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.690 flat angles P-C4'-P energy: -2.736 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: 1, replica: 3 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -35.248059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.248059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.248059 (E_RNA) where: Base-Base interactions energy: -10.075 where: short stacking energy: -10.075 Base-Backbone interact. energy: -0.072 local terms energy: -25.100776 where: bonds (distance) C4'-P energy: -6.588 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -5.128 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: 2, replica: 7 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -32.360454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.360454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.360454 (E_RNA) where: Base-Base interactions energy: -6.826 where: short stacking energy: -6.826 Base-Backbone interact. energy: -0.002 local terms energy: -25.532192 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.567 flat angles P-C4'-P energy: -4.269 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: 279 Temperature: 1.000000 Total energy: -36.498672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.498672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.498672 (E_RNA) where: Base-Base interactions energy: -10.772 where: short stacking energy: -10.772 Base-Backbone interact. energy: -0.053 local terms energy: -25.673341 where: bonds (distance) C4'-P energy: -6.229 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.716 flat angles P-C4'-P energy: -3.442 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: 4, replica: 1 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -32.984724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.984724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.984724 (E_RNA) where: Base-Base interactions energy: -6.927 where: short stacking energy: -6.927 Base-Backbone interact. energy: -0.001 local terms energy: -26.056470 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.857 flat angles P-C4'-P energy: -3.199 tors. eta vs tors. theta energy: -3.339 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: 10 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -33.620101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.620101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.620101 (E_RNA) where: Base-Base interactions energy: -11.334 where: short stacking energy: -11.334 Base-Backbone interact. energy: -0.091 local terms energy: -22.195135 where: bonds (distance) C4'-P energy: -4.072 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.848 flat angles P-C4'-P energy: -4.358 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: 6, replica: 9 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -34.333940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.333940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.333940 (E_RNA) where: Base-Base interactions energy: -8.078 where: short stacking energy: -8.078 Base-Backbone interact. energy: -0.042 local terms energy: -26.214011 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -4.155 tors. eta vs tors. theta energy: -2.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -31.655698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.655698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.655698 (E_RNA) where: Base-Base interactions energy: -9.551 where: short stacking energy: -9.551 Base-Backbone interact. energy: -0.000 local terms energy: -22.104637 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.219 flat angles P-C4'-P energy: -0.759 tors. eta vs tors. theta energy: -3.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -35.004736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.004736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.004736 (E_RNA) where: Base-Base interactions energy: -6.813 where: short stacking energy: -6.813 Base-Backbone interact. energy: -0.906 local terms energy: -27.286390 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -6.678 flat angles P-C4'-P energy: -5.604 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: 9, replica: 5 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -29.788757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.788757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.788757 (E_RNA) where: Base-Base interactions energy: -7.751 where: short stacking energy: -7.751 Base-Backbone interact. energy: -0.179 local terms energy: -21.858788 where: bonds (distance) C4'-P energy: -5.085 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.839 flat angles P-C4'-P energy: -2.252 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: 10, replica: 4 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -25.495244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.495244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.495244 (E_RNA) where: Base-Base interactions energy: -3.364 where: short stacking energy: -3.364 Base-Backbone interact. energy: -0.006 local terms energy: -22.124950 where: bonds (distance) C4'-P energy: -5.718 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.125 flat angles P-C4'-P energy: -3.772 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: 1, replica: 7 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -33.216388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.216388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.216388 (E_RNA) where: Base-Base interactions energy: -8.133 where: short stacking energy: -8.133 Base-Backbone interact. energy: -0.004 local terms energy: -25.079443 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.370 flat angles P-C4'-P energy: -4.847 tors. eta vs tors. theta energy: -0.427 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: 280 Temperature: 0.950000 Total energy: -34.705744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.705744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.705744 (E_RNA) where: Base-Base interactions energy: -8.404 where: short stacking energy: -8.404 Base-Backbone interact. energy: -0.194 local terms energy: -26.107821 where: bonds (distance) C4'-P energy: -6.291 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.623 flat angles P-C4'-P energy: -4.564 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: 1 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -38.869946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.869946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.869946 (E_RNA) where: Base-Base interactions energy: -12.151 where: short stacking energy: -12.151 Base-Backbone interact. energy: -0.000 local terms energy: -26.718129 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.149 flat angles P-C4'-P energy: -4.972 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: 4, replica: 8 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -36.612621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.612621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.612621 (E_RNA) where: Base-Base interactions energy: -9.006 where: short stacking energy: -9.006 Base-Backbone interact. energy: -0.028 local terms energy: -27.578669 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.719 flat angles P-C4'-P energy: -4.953 tors. eta vs tors. theta energy: -4.413 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: 9 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -32.548529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.548529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.548529 (E_RNA) where: Base-Base interactions energy: -4.425 where: short stacking energy: -4.425 Base-Backbone interact. energy: -0.020 local terms energy: -28.103091 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -6.545 flat angles P-C4'-P energy: -5.186 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: 6, replica: 10 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -29.646251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.646251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.646251 (E_RNA) where: Base-Base interactions energy: -10.438 where: short stacking energy: -10.438 Base-Backbone interact. energy: -0.001 local terms energy: -19.207770 where: bonds (distance) C4'-P energy: -2.982 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -3.623 flat angles P-C4'-P energy: -3.918 tors. eta vs tors. theta energy: -0.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -38.640776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.640776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.640776 (E_RNA) where: Base-Base interactions energy: -11.782 where: short stacking energy: -9.335 Base-Backbone interact. energy: -0.156 local terms energy: -26.703363 where: bonds (distance) C4'-P energy: -5.032 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -5.759 flat angles P-C4'-P energy: -5.767 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: 8, replica: 6 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -29.401306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.401306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.401306 (E_RNA) where: Base-Base interactions energy: -9.760 where: short stacking energy: -9.760 Base-Backbone interact. energy: -0.189 local terms energy: -19.452429 where: bonds (distance) C4'-P energy: -4.742 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.726 flat angles P-C4'-P energy: -2.310 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: 9, replica: 4 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -31.741546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.741546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.741546 (E_RNA) where: Base-Base interactions energy: -10.903 where: short stacking energy: -10.903 Base-Backbone interact. energy: -0.029 local terms energy: -20.809296 where: bonds (distance) C4'-P energy: -2.051 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -6.377 flat angles P-C4'-P energy: -3.924 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: 10, replica: 5 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -32.583494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.583494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.583494 (E_RNA) where: Base-Base interactions energy: -8.012 where: short stacking energy: -8.012 Base-Backbone interact. energy: -0.002 local terms energy: -24.569460 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -1.252 flat angles P-C4'-P energy: -4.920 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: 1, replica: 7 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -35.379931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.379931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.379931 (E_RNA) where: Base-Base interactions energy: -10.661 where: short stacking energy: -10.661 Base-Backbone interact. energy: -0.031 local terms energy: -24.688137 where: bonds (distance) C4'-P energy: -5.703 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.066 flat angles P-C4'-P energy: -3.728 tors. eta vs tors. theta energy: -2.843 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: 1 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -33.082482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.082482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.082482 (E_RNA) where: Base-Base interactions energy: -6.189 where: short stacking energy: -6.092 Base-Backbone interact. energy: -1.565 local terms energy: -25.328387 where: bonds (distance) C4'-P energy: -6.278 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -4.294 flat angles P-C4'-P energy: -4.913 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: 3 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -38.022341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.022341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.022341 (E_RNA) where: Base-Base interactions energy: -11.912 where: short stacking energy: -11.912 Base-Backbone interact. energy: -0.088 local terms energy: -26.022106 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -4.297 flat angles P-C4'-P energy: -4.058 tors. eta vs tors. theta energy: -3.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -35.962949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.962949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.962949 (E_RNA) where: Base-Base interactions energy: -9.262 where: short stacking energy: -9.262 Base-Backbone interact. energy: -0.002 local terms energy: -26.699193 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -6.720 flat angles P-C4'-P energy: -5.250 tors. eta vs tors. theta energy: -0.572 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: 9 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -34.328134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.328134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.328134 (E_RNA) where: Base-Base interactions energy: -8.094 where: short stacking energy: -8.094 Base-Backbone interact. energy: -0.002 local terms energy: -26.232629 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -6.479 flat angles P-C4'-P energy: -4.229 tors. eta vs tors. theta energy: -3.594 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: 6, replica: 2 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -37.039373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.039373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.039373 (E_RNA) where: Base-Base interactions energy: -10.445 where: short stacking energy: -10.445 Base-Backbone interact. energy: -0.046 local terms energy: -26.548388 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.584 flat angles P-C4'-P energy: -2.832 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: 10 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -28.712526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.712526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.712526 (E_RNA) where: Base-Base interactions energy: -6.320 where: short stacking energy: -6.320 Base-Backbone interact. energy: 1.113 local terms energy: -23.506455 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -2.927 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: 8, replica: 4 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -34.956260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.956260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.956260 (E_RNA) where: Base-Base interactions energy: -11.577 where: short stacking energy: -11.577 Base-Backbone interact. energy: -0.351 local terms energy: -23.028241 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -6.526 flat angles C4'-P-C4' energy: -4.929 flat angles P-C4'-P energy: -3.292 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: 9, replica: 6 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -32.191096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.191096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.191096 (E_RNA) where: Base-Base interactions energy: -8.995 where: short stacking energy: -8.995 Base-Backbone interact. energy: -0.034 local terms energy: -23.161856 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.902 flat angles P-C4'-P energy: -1.289 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: 10, replica: 5 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -28.079416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.079416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.079416 (E_RNA) where: Base-Base interactions energy: -6.426 where: short stacking energy: -6.426 Base-Backbone interact. energy: -0.280 local terms energy: -21.373087 where: bonds (distance) C4'-P energy: -5.318 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -4.949 flat angles P-C4'-P energy: -3.705 tors. eta vs tors. theta energy: 0.363 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: 1 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -42.172687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.172687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.172687 (E_RNA) where: Base-Base interactions energy: -15.960 where: short stacking energy: -15.960 Base-Backbone interact. energy: 0.173 local terms energy: -26.384823 where: bonds (distance) C4'-P energy: -3.889 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.483 flat angles P-C4'-P energy: -4.709 tors. eta vs tors. theta energy: -4.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -38.891250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.891250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.891250 (E_RNA) where: Base-Base interactions energy: -15.723 where: short stacking energy: -15.723 Base-Backbone interact. energy: 0.212 local terms energy: -23.380231 where: bonds (distance) C4'-P energy: -6.017 bonds (distance) P-C4' energy: -2.762 flat angles C4'-P-C4' energy: -6.721 flat angles P-C4'-P energy: -4.973 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: 3, replica: 8 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -39.072731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.072731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.072731 (E_RNA) where: Base-Base interactions energy: -11.138 where: short stacking energy: -11.138 Base-Backbone interact. energy: -0.000 local terms energy: -27.934540 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -6.920 flat angles P-C4'-P energy: -6.149 tors. eta vs tors. theta energy: -4.397 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: 3 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -35.022807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.022807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.022807 (E_RNA) where: Base-Base interactions energy: -11.393 where: short stacking energy: -11.136 Base-Backbone interact. energy: -0.100 local terms energy: -23.529949 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -4.565 flat angles P-C4'-P energy: -3.131 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: 5, replica: 2 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -33.529265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.529265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.529265 (E_RNA) where: Base-Base interactions energy: -11.214 where: short stacking energy: -11.214 Base-Backbone interact. energy: -0.086 local terms energy: -22.229380 where: bonds (distance) C4'-P energy: -5.620 bonds (distance) P-C4' energy: -4.952 flat angles C4'-P-C4' energy: -6.501 flat angles P-C4'-P energy: -5.058 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: 6, replica: 9 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -28.677041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.677041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.677041 (E_RNA) where: Base-Base interactions energy: -7.115 where: short stacking energy: -7.115 Base-Backbone interact. energy: -0.059 local terms energy: -21.502313 where: bonds (distance) C4'-P energy: -4.713 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -4.743 flat angles P-C4'-P energy: -5.362 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: 7, replica: 4 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -33.395793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.395793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.395793 (E_RNA) where: Base-Base interactions energy: -8.181 where: short stacking energy: -8.181 Base-Backbone interact. energy: -0.016 local terms energy: -25.198822 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -5.698 flat angles C4'-P-C4' energy: -6.145 flat angles P-C4'-P energy: -5.717 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: 8, replica: 10 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -33.046017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.046017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.046017 (E_RNA) where: Base-Base interactions energy: -8.006 where: short stacking energy: -8.006 Base-Backbone interact. energy: -0.090 local terms energy: -24.949215 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.318 flat angles P-C4'-P energy: -3.943 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: 9, replica: 5 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -34.736182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.736182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.736182 (E_RNA) where: Base-Base interactions energy: -11.297 where: short stacking energy: -9.693 Base-Backbone interact. energy: -0.069 local terms energy: -23.370915 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -4.447 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: 10, replica: 6 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -26.403680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.403680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.403680 (E_RNA) where: Base-Base interactions energy: -3.723 where: short stacking energy: -3.723 Base-Backbone interact. energy: -0.110 local terms energy: -22.570327 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.646 flat angles P-C4'-P energy: -4.396 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: 1, replica: 1 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -33.381432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.381432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.381432 (E_RNA) where: Base-Base interactions energy: -9.096 where: short stacking energy: -9.096 Base-Backbone interact. energy: -1.183 local terms energy: -23.103223 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.910 flat angles P-C4'-P energy: -3.213 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: 2, replica: 8 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -38.212846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.212846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.212846 (E_RNA) where: Base-Base interactions energy: -12.590 where: short stacking energy: -12.590 Base-Backbone interact. energy: -0.000 local terms energy: -25.622554 where: bonds (distance) C4'-P energy: -5.547 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.093 flat angles P-C4'-P energy: -4.173 tors. eta vs tors. theta energy: -2.931 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: 7 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -34.682764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.682764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.682764 (E_RNA) where: Base-Base interactions energy: -10.008 where: short stacking energy: -10.008 Base-Backbone interact. energy: -0.119 local terms energy: -24.555787 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.835 flat angles P-C4'-P energy: -5.250 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: 4, replica: 2 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -33.255293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.255293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.255293 (E_RNA) where: Base-Base interactions energy: -9.973 where: short stacking energy: -9.973 Base-Backbone interact. energy: -0.016 local terms energy: -23.266904 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.229 flat angles P-C4'-P energy: -4.133 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: 5, replica: 3 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -34.304076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.304076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.304076 (E_RNA) where: Base-Base interactions energy: -8.298 where: short stacking energy: -8.298 Base-Backbone interact. energy: -0.002 local terms energy: -26.004128 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.955 flat angles P-C4'-P energy: -2.042 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: 6, replica: 9 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -29.997890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.997890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.997890 (E_RNA) where: Base-Base interactions energy: -10.144 where: short stacking energy: -9.827 Base-Backbone interact. energy: -0.399 local terms energy: -19.455165 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -5.135 flat angles P-C4'-P energy: -0.551 tors. eta vs tors. theta energy: -0.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -31.463918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.463918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.463918 (E_RNA) where: Base-Base interactions energy: -6.260 where: short stacking energy: -6.260 Base-Backbone interact. energy: -0.007 local terms energy: -25.196901 where: bonds (distance) C4'-P energy: -6.213 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.085 flat angles P-C4'-P energy: -3.399 tors. eta vs tors. theta energy: -3.202 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: 5 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -31.870737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.870737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.870737 (E_RNA) where: Base-Base interactions energy: -8.505 where: short stacking energy: -8.505 Base-Backbone interact. energy: -0.062 local terms energy: -23.303367 where: bonds (distance) C4'-P energy: -3.302 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -3.763 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: 9, replica: 10 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -32.987019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.987019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.987019 (E_RNA) where: Base-Base interactions energy: -6.380 where: short stacking energy: -6.380 Base-Backbone interact. energy: -0.000 local terms energy: -26.606896 where: bonds (distance) C4'-P energy: -5.840 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -6.129 flat angles P-C4'-P energy: -4.350 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: 10, replica: 6 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -29.096868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.096868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.096868 (E_RNA) where: Base-Base interactions energy: -10.591 where: short stacking energy: -10.591 Base-Backbone interact. energy: -0.000 local terms energy: -18.506093 where: bonds (distance) C4'-P energy: -2.528 bonds (distance) P-C4' energy: -4.666 flat angles C4'-P-C4' energy: -5.551 flat angles P-C4'-P energy: -3.867 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: 1, replica: 8 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -34.006087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.006087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.006087 (E_RNA) where: Base-Base interactions energy: -8.654 where: short stacking energy: -8.654 Base-Backbone interact. energy: -0.001 local terms energy: -25.351130 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.568 flat angles C4'-P-C4' energy: -7.286 flat angles P-C4'-P energy: -4.625 tors. eta vs tors. theta energy: 0.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -38.692971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.692971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.692971 (E_RNA) where: Base-Base interactions energy: -11.486 where: short stacking energy: -11.486 Base-Backbone interact. energy: -0.314 local terms energy: -26.892780 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.783 flat angles P-C4'-P energy: -2.700 tors. eta vs tors. theta energy: -4.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -36.382766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.382766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.382766 (E_RNA) where: Base-Base interactions energy: -10.881 where: short stacking energy: -10.881 Base-Backbone interact. energy: -0.111 local terms energy: -25.391369 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -6.933 flat angles P-C4'-P energy: -5.022 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: 4, replica: 7 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -37.931251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.931251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.931251 (E_RNA) where: Base-Base interactions energy: -8.080 where: short stacking energy: -8.080 Base-Backbone interact. energy: -0.005 local terms energy: -29.846763 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -7.655 flat angles P-C4'-P energy: -4.483 tors. eta vs tors. theta energy: -3.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -33.612197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.612197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.612197 (E_RNA) where: Base-Base interactions energy: -9.613 where: short stacking energy: -9.613 Base-Backbone interact. energy: -0.000 local terms energy: -23.998882 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.825 flat angles P-C4'-P energy: -1.836 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: 3 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -32.614756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.614756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.614756 (E_RNA) where: Base-Base interactions energy: -4.102 where: short stacking energy: -4.102 Base-Backbone interact. energy: -0.003 local terms energy: -28.509610 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -7.643 flat angles P-C4'-P energy: -4.923 tors. eta vs tors. theta energy: -3.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -31.180171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.180171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.180171 (E_RNA) where: Base-Base interactions energy: -7.475 where: short stacking energy: -7.475 Base-Backbone interact. energy: -0.033 local terms energy: -23.672488 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -3.990 flat angles P-C4'-P energy: -3.814 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: 8, replica: 4 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -27.668272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.668272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.668272 (E_RNA) where: Base-Base interactions energy: -6.547 where: short stacking energy: -6.547 Base-Backbone interact. energy: -0.097 local terms energy: -21.024692 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -6.269 flat angles P-C4'-P energy: -3.664 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: 9, replica: 10 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -27.861919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.861919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.861919 (E_RNA) where: Base-Base interactions energy: -3.804 where: short stacking energy: -3.804 Base-Backbone interact. energy: -0.076 local terms energy: -23.982238 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -7.599 flat angles P-C4'-P energy: -1.308 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: 10, replica: 6 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -30.699266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.699266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.699266 (E_RNA) where: Base-Base interactions energy: -9.321 where: short stacking energy: -9.321 Base-Backbone interact. energy: -0.000 local terms energy: -21.377647 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -5.421 flat angles C4'-P-C4' energy: -5.793 flat angles P-C4'-P energy: -3.035 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: 8 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -35.130829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.130829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.130829 (E_RNA) where: Base-Base interactions energy: -7.404 where: short stacking energy: -7.404 Base-Backbone interact. energy: -0.123 local terms energy: -27.603819 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.835 flat angles P-C4'-P energy: -4.470 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: 2, replica: 2 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -39.098767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.098767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.098767 (E_RNA) where: Base-Base interactions energy: -10.884 where: short stacking energy: -10.884 Base-Backbone interact. energy: -0.145 local terms energy: -28.070039 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -7.189 flat angles P-C4'-P energy: -4.133 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: 3, replica: 1 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -40.707394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.707394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.707394 (E_RNA) where: Base-Base interactions energy: -12.829 where: short stacking energy: -12.829 Base-Backbone interact. energy: -0.032 local terms energy: -27.846354 where: bonds (distance) C4'-P energy: -6.001 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -7.036 flat angles P-C4'-P energy: -4.599 tors. eta vs tors. theta energy: -3.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -33.319889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.319889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.319889 (E_RNA) where: Base-Base interactions energy: -10.628 where: short stacking energy: -10.628 Base-Backbone interact. energy: -0.004 local terms energy: -22.687903 where: bonds (distance) C4'-P energy: -5.194 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -4.459 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: 7 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -33.848918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.848918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.848918 (E_RNA) where: Base-Base interactions energy: -8.988 where: short stacking energy: -8.988 Base-Backbone interact. energy: -0.004 local terms energy: -24.857092 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -3.335 flat angles P-C4'-P energy: -4.905 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: 6, replica: 5 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -29.975454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.975454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.975454 (E_RNA) where: Base-Base interactions energy: -8.056 where: short stacking energy: -8.056 Base-Backbone interact. energy: -0.100 local terms energy: -21.819140 where: bonds (distance) C4'-P energy: -4.899 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.999 flat angles P-C4'-P energy: -3.373 tors. eta vs tors. theta energy: 0.480 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: 3 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -33.210041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.210041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.210041 (E_RNA) where: Base-Base interactions energy: -10.969 where: short stacking energy: -10.969 Base-Backbone interact. energy: -0.000 local terms energy: -22.240958 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -1.861 flat angles P-C4'-P energy: -4.606 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: 8, replica: 4 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -26.517063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.517063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.517063 (E_RNA) where: Base-Base interactions energy: -3.480 where: short stacking energy: -3.480 Base-Backbone interact. energy: -0.006 local terms energy: -23.031624 where: bonds (distance) C4'-P energy: -4.598 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.542 flat angles P-C4'-P energy: -4.627 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: 9, replica: 10 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -26.654315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.654315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.654315 (E_RNA) where: Base-Base interactions energy: -8.021 where: short stacking energy: -8.021 Base-Backbone interact. energy: 0.833 local terms energy: -19.465743 where: bonds (distance) C4'-P energy: -3.318 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -4.054 flat angles P-C4'-P energy: -3.564 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: 10, replica: 6 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -27.418917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.418917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.418917 (E_RNA) where: Base-Base interactions energy: -4.435 where: short stacking energy: -4.435 Base-Backbone interact. energy: -0.910 local terms energy: -22.074010 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -4.968 flat angles P-C4'-P energy: -3.182 tors. eta vs tors. theta energy: -0.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -41.244488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.244488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.244488 (E_RNA) where: Base-Base interactions energy: -15.481 where: short stacking energy: -15.481 Base-Backbone interact. energy: 0.425 local terms energy: -26.188333 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -5.057 flat angles C4'-P-C4' energy: -5.412 flat angles P-C4'-P energy: -4.566 tors. eta vs tors. theta energy: -4.291 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: 8 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -41.969461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.969461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.969461 (E_RNA) where: Base-Base interactions energy: -11.602 where: short stacking energy: -11.602 Base-Backbone interact. energy: -0.000 local terms energy: -30.367280 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.197 flat angles P-C4'-P energy: -4.432 tors. eta vs tors. theta energy: -4.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -36.103839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.103839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.103839 (E_RNA) where: Base-Base interactions energy: -11.409 where: short stacking energy: -11.409 Base-Backbone interact. energy: -0.011 local terms energy: -24.684286 where: bonds (distance) C4'-P energy: -6.191 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.763 flat angles P-C4'-P energy: -2.267 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: 4, replica: 1 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -34.340249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.340249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.340249 (E_RNA) where: Base-Base interactions energy: -9.740 where: short stacking energy: -9.740 Base-Backbone interact. energy: -0.023 local terms energy: -24.576531 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.489 flat angles P-C4'-P energy: -3.163 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: 5, replica: 5 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -32.070483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.070483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.070483 (E_RNA) where: Base-Base interactions energy: -7.663 where: short stacking energy: -6.731 Base-Backbone interact. energy: -0.001 local terms energy: -24.406795 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -3.656 flat angles P-C4'-P energy: -4.820 tors. eta vs tors. theta energy: -2.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -36.478146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.478146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.478146 (E_RNA) where: Base-Base interactions energy: -9.718 where: short stacking energy: -9.718 Base-Backbone interact. energy: -0.000 local terms energy: -26.760255 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.795 flat angles P-C4'-P energy: -6.085 tors. eta vs tors. theta energy: -1.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -29.545682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.545682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.545682 (E_RNA) where: Base-Base interactions energy: -3.125 where: short stacking energy: -3.125 Base-Backbone interact. energy: -0.969 local terms energy: -25.451176 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -5.582 tors. eta vs tors. theta energy: -0.540 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: 3 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -34.747585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.747585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.747585 (E_RNA) where: Base-Base interactions energy: -10.176 where: short stacking energy: -6.092 Base-Backbone interact. energy: -0.169 local terms energy: -24.402134 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.016 flat angles P-C4'-P energy: -4.785 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: 6 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -28.444973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.444973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.444973 (E_RNA) where: Base-Base interactions energy: -6.518 where: short stacking energy: -6.518 Base-Backbone interact. energy: -0.104 local terms energy: -21.822533 where: bonds (distance) C4'-P energy: -6.482 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -5.778 flat angles P-C4'-P energy: -3.123 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: 10, replica: 10 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -29.701932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.701932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.701932 (E_RNA) where: Base-Base interactions energy: -8.126 where: short stacking energy: -8.126 Base-Backbone interact. energy: -0.061 local terms energy: -21.515355 where: bonds (distance) C4'-P energy: -4.883 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -3.550 flat angles P-C4'-P energy: -4.676 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: 1, replica: 2 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -37.702628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.702628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.702628 (E_RNA) where: Base-Base interactions energy: -12.169 where: short stacking energy: -12.169 Base-Backbone interact. energy: -0.165 local terms energy: -25.368207 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.200 flat angles P-C4'-P energy: -4.309 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: 8 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -40.938627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.938627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.938627 (E_RNA) where: Base-Base interactions energy: -10.728 where: short stacking energy: -10.728 Base-Backbone interact. energy: -0.001 local terms energy: -30.209430 where: bonds (distance) C4'-P energy: -4.854 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -7.626 flat angles P-C4'-P energy: -5.917 tors. eta vs tors. theta energy: -5.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -36.237100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.237100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.237100 (E_RNA) where: Base-Base interactions energy: -11.149 where: short stacking energy: -11.149 Base-Backbone interact. energy: -0.000 local terms energy: -25.088273 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -7.135 flat angles P-C4'-P energy: -2.603 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: 4, replica: 5 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -35.670858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.670858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.670858 (E_RNA) where: Base-Base interactions energy: -11.545 where: short stacking energy: -11.545 Base-Backbone interact. energy: -0.001 local terms energy: -24.124637 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -5.896 flat angles P-C4'-P energy: -4.058 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: 1 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -34.552158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.552158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.552158 (E_RNA) where: Base-Base interactions energy: -10.223 where: short stacking energy: -9.165 Base-Backbone interact. energy: -0.008 local terms energy: -24.320507 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -3.688 flat angles P-C4'-P energy: -5.770 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: 6, replica: 4 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -30.127696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.127696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.127696 (E_RNA) where: Base-Base interactions energy: -2.028 where: short stacking energy: -2.028 Base-Backbone interact. energy: -0.000 local terms energy: -28.099327 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.268 flat angles P-C4'-P energy: -5.145 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: 7, replica: 7 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -35.545235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.545235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.545235 (E_RNA) where: Base-Base interactions energy: -10.803 where: short stacking energy: -10.803 Base-Backbone interact. energy: -0.003 local terms energy: -24.738513 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.395 flat angles P-C4'-P energy: -2.623 tors. eta vs tors. theta energy: -1.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -31.240294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.240294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.240294 (E_RNA) where: Base-Base interactions energy: -7.300 where: short stacking energy: -7.300 Base-Backbone interact. energy: -0.050 local terms energy: -23.890379 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.002 flat angles P-C4'-P energy: -3.423 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: 9, replica: 3 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -27.604026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.604026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.604026 (E_RNA) where: Base-Base interactions energy: -5.668 where: short stacking energy: -5.668 Base-Backbone interact. energy: -0.000 local terms energy: -21.936009 where: bonds (distance) C4'-P energy: -4.130 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.028 flat angles P-C4'-P energy: -1.733 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: 10 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -29.121491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.121491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.121491 (E_RNA) where: Base-Base interactions energy: -6.881 where: short stacking energy: -7.085 Base-Backbone interact. energy: -0.091 local terms energy: -22.150111 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -5.505 flat angles C4'-P-C4' energy: -3.779 flat angles P-C4'-P energy: -3.419 tors. eta vs tors. theta energy: -3.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -38.672870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.672870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.672870 (E_RNA) where: Base-Base interactions energy: -11.366 where: short stacking energy: -11.366 Base-Backbone interact. energy: -0.026 local terms energy: -27.280309 where: bonds (distance) C4'-P energy: -4.792 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -6.201 flat angles P-C4'-P energy: -4.107 tors. eta vs tors. theta energy: -5.099 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: 8 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -41.463985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.463985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.463985 (E_RNA) where: Base-Base interactions energy: -14.060 where: short stacking energy: -14.060 Base-Backbone interact. energy: -0.010 local terms energy: -27.393996 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.174 flat angles P-C4'-P energy: -2.907 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: 3, replica: 5 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -37.375281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.375281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.375281 (E_RNA) where: Base-Base interactions energy: -10.820 where: short stacking energy: -10.820 Base-Backbone interact. energy: -1.127 local terms energy: -25.428661 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -6.139 flat angles C4'-P-C4' energy: -6.434 flat angles P-C4'-P energy: -5.241 tors. eta vs tors. theta energy: -1.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -33.952032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.952032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.952032 (E_RNA) where: Base-Base interactions energy: -10.413 where: short stacking energy: -10.413 Base-Backbone interact. energy: -0.804 local terms energy: -22.734968 where: bonds (distance) C4'-P energy: -4.792 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.782 flat angles P-C4'-P energy: -1.117 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: 5, replica: 1 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -34.216499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.216499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.216499 (E_RNA) where: Base-Base interactions energy: -7.833 where: short stacking energy: -7.433 Base-Backbone interact. energy: -0.102 local terms energy: -26.281256 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.200 flat angles P-C4'-P energy: -2.475 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: 6, replica: 4 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -37.153045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.153045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.153045 (E_RNA) where: Base-Base interactions energy: -13.093 where: short stacking energy: -13.196 Base-Backbone interact. energy: -0.026 local terms energy: -24.034092 where: bonds (distance) C4'-P energy: -4.971 bonds (distance) P-C4' energy: -5.959 flat angles C4'-P-C4' energy: -6.938 flat angles P-C4'-P energy: -3.458 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: 7, replica: 6 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -31.982313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.982313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.982313 (E_RNA) where: Base-Base interactions energy: -8.636 where: short stacking energy: -8.692 Base-Backbone interact. energy: -0.481 local terms energy: -22.865912 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.013 flat angles P-C4'-P energy: -3.603 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: 8, replica: 7 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -34.715793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.715793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.715793 (E_RNA) where: Base-Base interactions energy: -11.439 where: short stacking energy: -11.439 Base-Backbone interact. energy: -0.001 local terms energy: -23.275362 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.203 flat angles P-C4'-P energy: -4.178 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: 288 Temperature: 1.300000 Total energy: -30.353691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.353691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.353691 (E_RNA) where: Base-Base interactions energy: -6.296 where: short stacking energy: -5.717 Base-Backbone interact. energy: -0.015 local terms energy: -24.042999 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -3.606 flat angles P-C4'-P energy: -4.759 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: 10, replica: 3 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -36.618802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.618802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.618802 (E_RNA) where: Base-Base interactions energy: -11.870 where: short stacking energy: -11.870 Base-Backbone interact. energy: -0.000 local terms energy: -24.748519 where: bonds (distance) C4'-P energy: -5.787 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -4.220 flat angles P-C4'-P energy: -2.424 tors. eta vs tors. theta energy: -5.562 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: 2 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -33.839164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.839164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.839164 (E_RNA) where: Base-Base interactions energy: -8.855 where: short stacking energy: -8.855 Base-Backbone interact. energy: -0.040 local terms energy: -24.944403 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.328 flat angles P-C4'-P energy: -5.040 tors. eta vs tors. theta energy: 0.179 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: 2, replica: 5 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -36.450156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.450156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.450156 (E_RNA) where: Base-Base interactions energy: -10.852 where: short stacking energy: -10.852 Base-Backbone interact. energy: -0.144 local terms energy: -25.453640 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -6.654 flat angles C4'-P-C4' energy: -6.488 flat angles P-C4'-P energy: -4.212 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: 3, replica: 8 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -34.101510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.101510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.101510 (E_RNA) where: Base-Base interactions energy: -8.376 where: short stacking energy: -8.376 Base-Backbone interact. energy: -0.000 local terms energy: -25.725320 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -5.134 flat angles P-C4'-P energy: -3.573 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: 1 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -39.718729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.718729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.718729 (E_RNA) where: Base-Base interactions energy: -15.420 where: short stacking energy: -15.420 Base-Backbone interact. energy: -0.000 local terms energy: -24.298245 where: bonds (distance) C4'-P energy: -5.119 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.606 flat angles P-C4'-P energy: -5.067 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: 5, replica: 9 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -33.463998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.463998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.463998 (E_RNA) where: Base-Base interactions energy: -12.276 where: short stacking energy: -11.918 Base-Backbone interact. energy: -0.002 local terms energy: -21.186801 where: bonds (distance) C4'-P energy: -1.906 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.982 flat angles P-C4'-P energy: -4.208 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: 6, replica: 6 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -30.510503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.510503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.510503 (E_RNA) where: Base-Base interactions energy: -6.853 where: short stacking energy: -6.853 Base-Backbone interact. energy: -0.028 local terms energy: -23.629088 where: bonds (distance) C4'-P energy: -4.784 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.429 flat angles P-C4'-P energy: -5.300 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: 4 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -34.123486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.123486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.123486 (E_RNA) where: Base-Base interactions energy: -10.927 where: short stacking energy: -10.927 Base-Backbone interact. energy: -0.009 local terms energy: -23.187554 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -4.740 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -5.459 tors. eta vs tors. theta energy: -1.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -37.737849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.737849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.737849 (E_RNA) where: Base-Base interactions energy: -11.513 where: short stacking energy: -11.513 Base-Backbone interact. energy: -0.000 local terms energy: -26.225219 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.451 flat angles P-C4'-P energy: -4.240 tors. eta vs tors. theta energy: -3.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -34.371963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.371963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.371963 (E_RNA) where: Base-Base interactions energy: -11.399 where: short stacking energy: -11.399 Base-Backbone interact. energy: -0.065 local terms energy: -22.908104 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -4.669 flat angles C4'-P-C4' energy: -5.142 flat angles P-C4'-P energy: -5.788 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: 3 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -27.955450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.955450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.955450 (E_RNA) where: Base-Base interactions energy: -4.240 where: short stacking energy: -4.240 Base-Backbone interact. energy: -0.193 local terms energy: -23.522599 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -5.333 flat angles P-C4'-P energy: -2.541 tors. eta vs tors. theta energy: -1.855 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: 1, replica: 2 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -44.167500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.167500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.167500 (E_RNA) where: Base-Base interactions energy: -15.608 where: short stacking energy: -15.608 Base-Backbone interact. energy: -0.000 local terms energy: -28.559177 where: bonds (distance) C4'-P energy: -6.878 bonds (distance) P-C4' energy: -4.740 flat angles C4'-P-C4' energy: -6.684 flat angles P-C4'-P energy: -3.929 tors. eta vs tors. theta energy: -6.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -34.136303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.136303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.136303 (E_RNA) where: Base-Base interactions energy: -12.771 where: short stacking energy: -12.489 Base-Backbone interact. energy: -0.520 local terms energy: -20.844798 where: bonds (distance) C4'-P energy: -5.380 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -4.022 flat angles P-C4'-P energy: -4.038 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: 3, replica: 1 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -34.913378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.913378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.913378 (E_RNA) where: Base-Base interactions energy: -11.795 where: short stacking energy: -11.795 Base-Backbone interact. energy: -0.020 local terms energy: -23.098589 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -6.941 flat angles P-C4'-P energy: -2.068 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: 4, replica: 8 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -35.893478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.893478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.893478 (E_RNA) where: Base-Base interactions energy: -11.412 where: short stacking energy: -11.412 Base-Backbone interact. energy: -0.035 local terms energy: -24.446141 where: bonds (distance) C4'-P energy: -7.032 bonds (distance) P-C4' energy: -5.384 flat angles C4'-P-C4' energy: -4.253 flat angles P-C4'-P energy: -4.061 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: 5, replica: 6 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -33.170363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.170363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.170363 (E_RNA) where: Base-Base interactions energy: -9.421 where: short stacking energy: -8.318 Base-Backbone interact. energy: -0.000 local terms energy: -23.749184 where: bonds (distance) C4'-P energy: -5.244 bonds (distance) P-C4' energy: -5.971 flat angles C4'-P-C4' energy: -6.571 flat angles P-C4'-P energy: -2.965 tors. eta vs tors. theta energy: -2.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -29.741849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.741849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.741849 (E_RNA) where: Base-Base interactions energy: -7.650 where: short stacking energy: -7.650 Base-Backbone interact. energy: -0.296 local terms energy: -21.796653 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -6.951 flat angles P-C4'-P energy: -3.682 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: 7, replica: 10 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -28.121200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.121200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.121200 (E_RNA) where: Base-Base interactions energy: -3.474 where: short stacking energy: -3.474 Base-Backbone interact. energy: -0.097 local terms energy: -24.550690 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -5.994 flat angles C4'-P-C4' energy: -7.204 flat angles P-C4'-P energy: -4.261 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: 8, replica: 4 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -29.119709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.119709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.119709 (E_RNA) where: Base-Base interactions energy: -7.949 where: short stacking energy: -7.949 Base-Backbone interact. energy: -0.000 local terms energy: -21.170314 where: bonds (distance) C4'-P energy: -5.098 bonds (distance) P-C4' energy: -5.768 flat angles C4'-P-C4' energy: -6.205 flat angles P-C4'-P energy: -3.714 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: 9, replica: 3 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -38.494416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.494416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.494416 (E_RNA) where: Base-Base interactions energy: -9.739 where: short stacking energy: -9.739 Base-Backbone interact. energy: -0.002 local terms energy: -28.753708 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.425 flat angles P-C4'-P energy: -4.528 tors. eta vs tors. theta energy: -3.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -31.235939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.235939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.235939 (E_RNA) where: Base-Base interactions energy: -6.224 where: short stacking energy: -6.224 Base-Backbone interact. energy: 0.404 local terms energy: -25.416115 where: bonds (distance) C4'-P energy: -4.581 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.988 flat angles P-C4'-P energy: -4.191 tors. eta vs tors. theta energy: -2.326 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: 2 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -41.891566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.891566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.891566 (E_RNA) where: Base-Base interactions energy: -13.316 where: short stacking energy: -13.316 Base-Backbone interact. energy: -0.000 local terms energy: -28.575211 where: bonds (distance) C4'-P energy: -6.709 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -7.393 flat angles P-C4'-P energy: -5.242 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: 2, replica: 1 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -42.047454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.047454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.047454 (E_RNA) where: Base-Base interactions energy: -14.345 where: short stacking energy: -14.345 Base-Backbone interact. energy: -0.000 local terms energy: -27.702355 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.505 flat angles C4'-P-C4' energy: -5.455 flat angles P-C4'-P energy: -5.167 tors. eta vs tors. theta energy: -4.637 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: 5 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -35.603943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.603943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.603943 (E_RNA) where: Base-Base interactions energy: -11.352 where: short stacking energy: -11.352 Base-Backbone interact. energy: -0.000 local terms energy: -24.252327 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -6.240 flat angles C4'-P-C4' energy: -4.677 flat angles P-C4'-P energy: -5.237 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: 4, replica: 8 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -34.100105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.100105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.100105 (E_RNA) where: Base-Base interactions energy: -9.474 where: short stacking energy: -9.567 Base-Backbone interact. energy: -0.022 local terms energy: -24.603594 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -4.773 flat angles P-C4'-P energy: -3.395 tors. eta vs tors. theta energy: -3.967 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: 6 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -34.511095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.511095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.511095 (E_RNA) where: Base-Base interactions energy: -11.888 where: short stacking energy: -11.888 Base-Backbone interact. energy: -0.104 local terms energy: -22.519130 where: bonds (distance) C4'-P energy: -1.761 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -7.218 flat angles P-C4'-P energy: -3.767 tors. eta vs tors. theta energy: -3.437 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: 6, replica: 10 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -32.114518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.114518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.114518 (E_RNA) where: Base-Base interactions energy: -7.620 where: short stacking energy: -7.620 Base-Backbone interact. energy: -0.008 local terms energy: -24.486066 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.054 flat angles C4'-P-C4' energy: -5.177 flat angles P-C4'-P energy: -3.856 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: 7, replica: 9 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -29.339380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.339380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.339380 (E_RNA) where: Base-Base interactions energy: -9.460 where: short stacking energy: -9.460 Base-Backbone interact. energy: -0.001 local terms energy: -19.878937 where: bonds (distance) C4'-P energy: -5.609 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -2.955 flat angles P-C4'-P energy: -3.215 tors. eta vs tors. theta energy: -1.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -31.277784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.277784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.277784 (E_RNA) where: Base-Base interactions energy: -9.841 where: short stacking energy: -9.841 Base-Backbone interact. energy: -0.003 local terms energy: -21.433370 where: bonds (distance) C4'-P energy: -5.124 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.021 flat angles P-C4'-P energy: -3.441 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: 9, replica: 4 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -29.906092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.906092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.906092 (E_RNA) where: Base-Base interactions energy: -7.694 where: short stacking energy: -7.694 Base-Backbone interact. energy: -0.002 local terms energy: -22.209852 where: bonds (distance) C4'-P energy: -4.742 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -3.710 flat angles P-C4'-P energy: -5.489 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: 10, replica: 7 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -27.854253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.854253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.854253 (E_RNA) where: Base-Base interactions energy: -4.449 where: short stacking energy: -4.449 Base-Backbone interact. energy: -0.112 local terms energy: -23.293987 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.754 flat angles P-C4'-P energy: -2.888 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: 1, replica: 1 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -36.485963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.485963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.485963 (E_RNA) where: Base-Base interactions energy: -11.470 where: short stacking energy: -11.470 Base-Backbone interact. energy: -0.095 local terms energy: -24.920525 where: bonds (distance) C4'-P energy: -4.403 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.256 flat angles P-C4'-P energy: -3.220 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: 2, replica: 2 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -40.947711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.947711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.947711 (E_RNA) where: Base-Base interactions energy: -10.085 where: short stacking energy: -10.085 Base-Backbone interact. energy: -0.000 local terms energy: -30.862581 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -7.377 flat angles P-C4'-P energy: -4.633 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: 3, replica: 8 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -39.278883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.278883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.278883 (E_RNA) where: Base-Base interactions energy: -14.072 where: short stacking energy: -14.072 Base-Backbone interact. energy: -0.000 local terms energy: -25.206817 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -6.301 flat angles C4'-P-C4' energy: -3.178 flat angles P-C4'-P energy: -4.197 tors. eta vs tors. theta energy: -4.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -35.450043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.450043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.450043 (E_RNA) where: Base-Base interactions energy: -9.804 where: short stacking energy: -9.804 Base-Backbone interact. energy: -0.001 local terms energy: -25.645478 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -3.506 tors. eta vs tors. theta energy: -3.127 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: 5, replica: 10 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -33.191712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.191712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.191712 (E_RNA) where: Base-Base interactions energy: -10.151 where: short stacking energy: -6.844 Base-Backbone interact. energy: 0.062 local terms energy: -23.102647 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -3.611 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: 6, replica: 6 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -30.191795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.191795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.191795 (E_RNA) where: Base-Base interactions energy: -6.045 where: short stacking energy: -6.045 Base-Backbone interact. energy: -0.527 local terms energy: -23.619510 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.342 flat angles P-C4'-P energy: -4.646 tors. eta vs tors. theta energy: 1.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -34.512872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.512872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.512872 (E_RNA) where: Base-Base interactions energy: -11.279 where: short stacking energy: -11.279 Base-Backbone interact. energy: -0.002 local terms energy: -23.231926 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -5.290 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -5.959 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: 8, replica: 9 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -33.299823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.299823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.299823 (E_RNA) where: Base-Base interactions energy: -7.971 where: short stacking energy: -7.971 Base-Backbone interact. energy: -0.000 local terms energy: -25.328180 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.421 flat angles P-C4'-P energy: -3.206 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: 9, replica: 4 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -29.340393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.340393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.340393 (E_RNA) where: Base-Base interactions energy: -7.814 where: short stacking energy: -7.814 Base-Backbone interact. energy: -0.007 local terms energy: -21.519226 where: bonds (distance) C4'-P energy: -4.642 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -5.579 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: 10, replica: 7 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -27.336525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.336525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.336525 (E_RNA) where: Base-Base interactions energy: -5.943 where: short stacking energy: -5.943 Base-Backbone interact. energy: -0.010 local terms energy: -21.383827 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -3.960 flat angles P-C4'-P energy: -1.994 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: 1, replica: 1 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -38.951718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.951718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.951718 (E_RNA) where: Base-Base interactions energy: -11.872 where: short stacking energy: -11.872 Base-Backbone interact. energy: -0.000 local terms energy: -27.079444 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.563 flat angles P-C4'-P energy: -2.875 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: 8 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -39.097339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.097339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.097339 (E_RNA) where: Base-Base interactions energy: -10.807 where: short stacking energy: -10.807 Base-Backbone interact. energy: 0.195 local terms energy: -28.485843 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.649 flat angles P-C4'-P energy: -5.827 tors. eta vs tors. theta energy: -3.741 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: 2 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -39.258883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.258883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.258883 (E_RNA) where: Base-Base interactions energy: -14.055 where: short stacking energy: -14.055 Base-Backbone interact. energy: -1.670 local terms energy: -23.534520 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -2.710 flat angles P-C4'-P energy: -4.803 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: 4, replica: 10 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -38.012753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.012753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.012753 (E_RNA) where: Base-Base interactions energy: -9.342 where: short stacking energy: -9.342 Base-Backbone interact. energy: -0.000 local terms energy: -28.670613 where: bonds (distance) C4'-P energy: -5.607 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.775 flat angles P-C4'-P energy: -5.216 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: 5, replica: 5 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -34.546472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.546472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.546472 (E_RNA) where: Base-Base interactions energy: -9.126 where: short stacking energy: -9.126 Base-Backbone interact. energy: -0.002 local terms energy: -25.419411 where: bonds (distance) C4'-P energy: -5.715 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.812 flat angles P-C4'-P energy: -4.683 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: 6, replica: 3 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -40.836498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.836498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.836498 (E_RNA) where: Base-Base interactions energy: -11.140 where: short stacking energy: -11.140 Base-Backbone interact. energy: -0.000 local terms energy: -29.696390 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -6.321 tors. eta vs tors. theta energy: -4.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -27.744456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.744456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.744456 (E_RNA) where: Base-Base interactions energy: -7.576 where: short stacking energy: -7.576 Base-Backbone interact. energy: -0.013 local terms energy: -20.154892 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.718 flat angles C4'-P-C4' energy: -5.937 flat angles P-C4'-P energy: -4.338 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: 8, replica: 4 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -29.400316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.400316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.400316 (E_RNA) where: Base-Base interactions energy: -6.832 where: short stacking energy: -6.968 Base-Backbone interact. energy: -0.001 local terms energy: -22.566545 where: bonds (distance) C4'-P energy: -4.884 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.412 flat angles P-C4'-P energy: -1.964 tors. eta vs tors. theta energy: -5.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -27.841445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.841445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.841445 (E_RNA) where: Base-Base interactions energy: -7.296 where: short stacking energy: -7.296 Base-Backbone interact. energy: -0.002 local terms energy: -20.543590 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.878 flat angles P-C4'-P energy: -0.758 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: 10, replica: 7 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -28.123409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.123409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.123409 (E_RNA) where: Base-Base interactions energy: -6.236 where: short stacking energy: -6.236 Base-Backbone interact. energy: -0.039 local terms energy: -21.848429 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.407 flat angles P-C4'-P energy: -2.801 tors. eta vs tors. theta energy: 0.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -40.416620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.416620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.416620 (E_RNA) where: Base-Base interactions energy: -13.833 where: short stacking energy: -10.389 Base-Backbone interact. energy: -0.014 local terms energy: -26.569331 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -6.995 flat angles P-C4'-P energy: -2.432 tors. eta vs tors. theta energy: -4.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -40.102508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.102508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.102508 (E_RNA) where: Base-Base interactions energy: -16.592 where: short stacking energy: -16.592 Base-Backbone interact. energy: -0.008 local terms energy: -23.502377 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.913 flat angles P-C4'-P energy: -2.299 tors. eta vs tors. theta energy: -1.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -36.221204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.221204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.221204 (E_RNA) where: Base-Base interactions energy: -9.165 where: short stacking energy: -9.165 Base-Backbone interact. energy: -0.001 local terms energy: -27.055342 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.717 flat angles P-C4'-P energy: -5.935 tors. eta vs tors. theta energy: -1.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -38.390783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.390783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.390783 (E_RNA) where: Base-Base interactions energy: -12.492 where: short stacking energy: -12.492 Base-Backbone interact. energy: -0.000 local terms energy: -25.898653 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.606 flat angles P-C4'-P energy: -2.351 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: 5, replica: 3 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -34.852854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.852854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.852854 (E_RNA) where: Base-Base interactions energy: -9.862 where: short stacking energy: -9.862 Base-Backbone interact. energy: -0.005 local terms energy: -24.986242 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -3.010 tors. eta vs tors. theta energy: -4.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -35.062964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.062964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.062964 (E_RNA) where: Base-Base interactions energy: -11.300 where: short stacking energy: -11.300 Base-Backbone interact. energy: -0.002 local terms energy: -23.760808 where: bonds (distance) C4'-P energy: -6.001 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.295 flat angles P-C4'-P energy: -2.975 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: 7, replica: 4 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -34.867122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.867122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.867122 (E_RNA) where: Base-Base interactions energy: -10.700 where: short stacking energy: -10.700 Base-Backbone interact. energy: -0.025 local terms energy: -24.141767 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -3.701 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: 6 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -31.078274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.078274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.078274 (E_RNA) where: Base-Base interactions energy: -6.180 where: short stacking energy: -6.180 Base-Backbone interact. energy: -0.003 local terms energy: -24.895929 where: bonds (distance) C4'-P energy: -3.831 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -5.295 tors. eta vs tors. theta energy: -2.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -29.100322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.100322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.100322 (E_RNA) where: Base-Base interactions energy: -10.277 where: short stacking energy: -10.277 Base-Backbone interact. energy: 1.264 local terms energy: -20.087615 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -5.181 flat angles P-C4'-P energy: -4.345 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: 10, replica: 9 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -31.258125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.258125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.258125 (E_RNA) where: Base-Base interactions energy: -8.617 where: short stacking energy: -8.617 Base-Backbone interact. energy: -0.042 local terms energy: -22.598803 where: bonds (distance) C4'-P energy: -3.898 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -6.240 flat angles P-C4'-P energy: -5.798 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: 1, replica: 8 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -36.538065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.538065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.538065 (E_RNA) where: Base-Base interactions energy: -8.919 where: short stacking energy: -7.742 Base-Backbone interact. energy: -0.300 local terms energy: -27.319758 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -6.202 flat angles P-C4'-P energy: -6.092 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: 2, replica: 10 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -34.124125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.124125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.124125 (E_RNA) where: Base-Base interactions energy: -11.320 where: short stacking energy: -11.320 Base-Backbone interact. energy: -0.011 local terms energy: -22.793907 where: bonds (distance) C4'-P energy: -4.804 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -4.956 tors. eta vs tors. theta energy: -1.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -39.919011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.919011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.919011 (E_RNA) where: Base-Base interactions energy: -12.202 where: short stacking energy: -12.202 Base-Backbone interact. energy: -0.001 local terms energy: -27.716537 where: bonds (distance) C4'-P energy: -4.436 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -7.450 flat angles P-C4'-P energy: -4.295 tors. eta vs tors. theta energy: -4.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -36.827999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.827999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.827999 (E_RNA) where: Base-Base interactions energy: -10.676 where: short stacking energy: -10.676 Base-Backbone interact. energy: -0.000 local terms energy: -26.152142 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -6.129 flat angles P-C4'-P energy: -4.233 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: 5, replica: 2 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -33.583300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.583300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.583300 (E_RNA) where: Base-Base interactions energy: -8.798 where: short stacking energy: -8.798 Base-Backbone interact. energy: -0.103 local terms energy: -24.683177 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -5.939 flat angles C4'-P-C4' energy: -6.925 flat angles P-C4'-P energy: -4.375 tors. eta vs tors. theta energy: -0.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -32.906375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.906375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.906375 (E_RNA) where: Base-Base interactions energy: -9.300 where: short stacking energy: -9.300 Base-Backbone interact. energy: -0.100 local terms energy: -23.506323 where: bonds (distance) C4'-P energy: -5.078 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -5.383 flat angles P-C4'-P energy: -4.847 tors. eta vs tors. theta energy: -2.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -30.851875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.851875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.851875 (E_RNA) where: Base-Base interactions energy: -6.991 where: short stacking energy: -6.991 Base-Backbone interact. energy: -0.003 local terms energy: -23.857954 where: bonds (distance) C4'-P energy: -4.602 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.720 flat angles P-C4'-P energy: -5.123 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: 8, replica: 7 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -34.838341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.838341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.838341 (E_RNA) where: Base-Base interactions energy: -11.501 where: short stacking energy: -11.501 Base-Backbone interact. energy: -0.009 local terms energy: -23.328998 where: bonds (distance) C4'-P energy: -5.927 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.391 flat angles P-C4'-P energy: -0.621 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: 9, replica: 6 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -29.111526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.111526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.111526 (E_RNA) where: Base-Base interactions energy: -7.859 where: short stacking energy: -7.859 Base-Backbone interact. energy: -0.015 local terms energy: -21.237967 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.740 flat angles P-C4'-P energy: -3.144 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: 10, replica: 9 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -32.248153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.248153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.248153 (E_RNA) where: Base-Base interactions energy: -11.577 where: short stacking energy: -11.577 Base-Backbone interact. energy: -0.025 local terms energy: -20.645891 where: bonds (distance) C4'-P energy: -4.526 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -3.460 flat angles P-C4'-P energy: -4.277 tors. eta vs tors. theta energy: -2.832 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: 8 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -34.427917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.427917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.427917 (E_RNA) where: Base-Base interactions energy: -10.835 where: short stacking energy: -10.835 Base-Backbone interact. energy: -0.070 local terms energy: -23.523086 where: bonds (distance) C4'-P energy: -6.593 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -6.849 flat angles P-C4'-P energy: -1.862 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: 2, replica: 10 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -35.183283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.183283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.183283 (E_RNA) where: Base-Base interactions energy: -9.670 where: short stacking energy: -9.670 Base-Backbone interact. energy: -0.000 local terms energy: -25.512827 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.010 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: -4.861 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: 3, replica: 3 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -37.660201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.660201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.660201 (E_RNA) where: Base-Base interactions energy: -14.907 where: short stacking energy: -14.907 Base-Backbone interact. energy: -0.024 local terms energy: -22.728694 where: bonds (distance) C4'-P energy: -4.561 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -5.399 flat angles P-C4'-P energy: -3.190 tors. eta vs tors. theta energy: -2.986 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: 1 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -30.846078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.846078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.846078 (E_RNA) where: Base-Base interactions energy: -8.213 where: short stacking energy: -8.213 Base-Backbone interact. energy: -0.046 local terms energy: -22.587664 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -4.830 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -5.570 tors. eta vs tors. theta energy: 0.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -31.950655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.950655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.950655 (E_RNA) where: Base-Base interactions energy: -7.220 where: short stacking energy: -7.220 Base-Backbone interact. energy: -0.084 local terms energy: -24.646929 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -7.366 flat angles P-C4'-P energy: -5.140 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: 6, replica: 2 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -30.343229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.343229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.343229 (E_RNA) where: Base-Base interactions energy: -8.971 where: short stacking energy: -8.971 Base-Backbone interact. energy: -0.045 local terms energy: -21.326566 where: bonds (distance) C4'-P energy: -5.086 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -6.033 flat angles P-C4'-P energy: -4.779 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: 7, replica: 7 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -29.268060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.268060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.268060 (E_RNA) where: Base-Base interactions energy: -8.063 where: short stacking energy: -8.063 Base-Backbone interact. energy: -0.000 local terms energy: -21.205016 where: bonds (distance) C4'-P energy: -5.658 bonds (distance) P-C4' energy: -4.498 flat angles C4'-P-C4' energy: -4.602 flat angles P-C4'-P energy: -5.090 tors. eta vs tors. theta energy: -1.357 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: 8, replica: 5 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -28.645644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.645644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.645644 (E_RNA) where: Base-Base interactions energy: -10.140 where: short stacking energy: -10.140 Base-Backbone interact. energy: -0.115 local terms energy: -18.390411 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -3.075 flat angles C4'-P-C4' energy: -7.005 flat angles P-C4'-P energy: -2.805 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: 9, replica: 6 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -29.658648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.658648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.658648 (E_RNA) where: Base-Base interactions energy: -3.724 where: short stacking energy: -3.724 Base-Backbone interact. energy: -0.001 local terms energy: -25.933896 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -5.659 flat angles C4'-P-C4' energy: -4.412 flat angles P-C4'-P energy: -5.610 tors. eta vs tors. theta energy: -4.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -30.216602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.216602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.216602 (E_RNA) where: Base-Base interactions energy: -7.767 where: short stacking energy: -7.767 Base-Backbone interact. energy: -0.107 local terms energy: -22.342536 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -7.132 flat angles P-C4'-P energy: -4.512 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: 1, replica: 8 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -42.120837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.120837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.120837 (E_RNA) where: Base-Base interactions energy: -11.231 where: short stacking energy: -11.231 Base-Backbone interact. energy: -0.000 local terms energy: -30.889848 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.449 flat angles P-C4'-P energy: -4.069 tors. eta vs tors. theta energy: -6.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -41.649086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.649086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.649086 (E_RNA) where: Base-Base interactions energy: -11.799 where: short stacking energy: -11.799 Base-Backbone interact. energy: -0.006 local terms energy: -29.844509 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -6.674 flat angles P-C4'-P energy: -5.695 tors. eta vs tors. theta energy: -5.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -37.274371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.274371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.274371 (E_RNA) where: Base-Base interactions energy: -7.534 where: short stacking energy: -7.534 Base-Backbone interact. energy: -0.000 local terms energy: -29.740117 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -4.853 tors. eta vs tors. theta energy: -4.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -45.575537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.575537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.575537 (E_RNA) where: Base-Base interactions energy: -15.508 where: short stacking energy: -15.508 Base-Backbone interact. energy: -0.000 local terms energy: -30.067873 where: bonds (distance) C4'-P energy: -5.103 bonds (distance) P-C4' energy: -6.843 flat angles C4'-P-C4' energy: -6.693 flat angles P-C4'-P energy: -5.262 tors. eta vs tors. theta energy: -6.167 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: 5, replica: 1 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -31.920844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.920844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.920844 (E_RNA) where: Base-Base interactions energy: -6.217 where: short stacking energy: -6.217 Base-Backbone interact. energy: -0.004 local terms energy: -25.699311 where: bonds (distance) C4'-P energy: -5.106 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.502 flat angles P-C4'-P energy: -3.727 tors. eta vs tors. theta energy: -3.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -34.884251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.884251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.884251 (E_RNA) where: Base-Base interactions energy: -7.185 where: short stacking energy: -7.185 Base-Backbone interact. energy: 0.352 local terms energy: -28.050814 where: bonds (distance) C4'-P energy: -4.598 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -7.006 flat angles P-C4'-P energy: -5.261 tors. eta vs tors. theta energy: -3.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -31.105989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.105989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.105989 (E_RNA) where: Base-Base interactions energy: -4.892 where: short stacking energy: -4.892 Base-Backbone interact. energy: -0.002 local terms energy: -26.211572 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -7.005 flat angles P-C4'-P energy: -5.831 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: 8, replica: 6 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -34.121190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.121190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.121190 (E_RNA) where: Base-Base interactions energy: -9.341 where: short stacking energy: -9.341 Base-Backbone interact. energy: -0.000 local terms energy: -24.780260 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: -2.843 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: 9, replica: 5 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -28.316127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.316127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.316127 (E_RNA) where: Base-Base interactions energy: -9.750 where: short stacking energy: -9.750 Base-Backbone interact. energy: -0.123 local terms energy: -18.443600 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -6.332 flat angles P-C4'-P energy: -3.941 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: 10, replica: 9 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -34.063841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.063841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.063841 (E_RNA) where: Base-Base interactions energy: -7.681 where: short stacking energy: -7.681 Base-Backbone interact. energy: -0.000 local terms energy: -26.382814 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -7.076 flat angles P-C4'-P energy: -3.859 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: 1, replica: 3 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -38.632686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.632686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.632686 (E_RNA) where: Base-Base interactions energy: -11.209 where: short stacking energy: -11.209 Base-Backbone interact. energy: -0.027 local terms energy: -27.397187 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.242 flat angles P-C4'-P energy: -5.476 tors. eta vs tors. theta energy: -1.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -37.878357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.878357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.878357 (E_RNA) where: Base-Base interactions energy: -11.831 where: short stacking energy: -11.831 Base-Backbone interact. energy: -0.004 local terms energy: -26.043619 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -5.014 flat angles P-C4'-P energy: -5.057 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: 3, replica: 10 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -35.767767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.767767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.767767 (E_RNA) where: Base-Base interactions energy: -11.847 where: short stacking energy: -11.847 Base-Backbone interact. energy: -0.000 local terms energy: -23.921033 where: bonds (distance) C4'-P energy: -5.723 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -4.767 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: 4, replica: 4 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -33.741406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.741406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.741406 (E_RNA) where: Base-Base interactions energy: -7.539 where: short stacking energy: -7.539 Base-Backbone interact. energy: -0.001 local terms energy: -26.201305 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -3.182 tors. eta vs tors. theta energy: -3.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -45.099432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.099432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.099432 (E_RNA) where: Base-Base interactions energy: -13.663 where: short stacking energy: -13.618 Base-Backbone interact. energy: -0.872 local terms energy: -30.564505 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -7.197 flat angles P-C4'-P energy: -4.904 tors. eta vs tors. theta energy: -5.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -34.532887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.532887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.532887 (E_RNA) where: Base-Base interactions energy: -8.952 where: short stacking energy: -8.952 Base-Backbone interact. energy: -0.036 local terms energy: -25.544920 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.933 flat angles P-C4'-P energy: -3.074 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: 7, replica: 6 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -30.620561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.620561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.620561 (E_RNA) where: Base-Base interactions energy: -8.460 where: short stacking energy: -8.460 Base-Backbone interact. energy: -0.134 local terms energy: -22.025713 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -4.212 flat angles C4'-P-C4' energy: -6.762 flat angles P-C4'-P energy: -5.969 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: 8, replica: 7 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -33.300258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.300258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.300258 (E_RNA) where: Base-Base interactions energy: -7.065 where: short stacking energy: -7.065 Base-Backbone interact. energy: -0.028 local terms energy: -26.207474 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.565 flat angles P-C4'-P energy: -3.090 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: 9, replica: 5 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -31.147247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.147247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.147247 (E_RNA) where: Base-Base interactions energy: -6.689 where: short stacking energy: -6.689 Base-Backbone interact. energy: -0.061 local terms energy: -24.396657 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -4.648 tors. eta vs tors. theta energy: -1.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -30.151333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.151333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.151333 (E_RNA) where: Base-Base interactions energy: -3.482 where: short stacking energy: -3.482 Base-Backbone interact. energy: -1.326 local terms energy: -25.343706 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.823 flat angles P-C4'-P energy: -5.109 tors. eta vs tors. theta energy: -0.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -42.600563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.600563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.600563 (E_RNA) where: Base-Base interactions energy: -13.105 where: short stacking energy: -13.105 Base-Backbone interact. energy: -0.022 local terms energy: -29.473116 where: bonds (distance) C4'-P energy: -6.838 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -7.356 flat angles P-C4'-P energy: -5.898 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: 2, replica: 10 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -42.780230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.780230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.780230 (E_RNA) where: Base-Base interactions energy: -11.537 where: short stacking energy: -11.537 Base-Backbone interact. energy: -0.000 local terms energy: -31.243027 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -5.159 flat angles C4'-P-C4' energy: -7.200 flat angles P-C4'-P energy: -5.665 tors. eta vs tors. theta energy: -7.139 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: 299 Temperature: 1.000000 Total energy: -35.457540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.457540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.457540 (E_RNA) where: Base-Base interactions energy: -9.468 where: short stacking energy: -9.468 Base-Backbone interact. energy: -0.075 local terms energy: -25.915174 where: bonds (distance) C4'-P energy: -4.750 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -6.729 flat angles P-C4'-P energy: -4.329 tors. eta vs tors. theta energy: -3.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -32.304407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.304407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.304407 (E_RNA) where: Base-Base interactions energy: -8.945 where: short stacking energy: -8.945 Base-Backbone interact. energy: -0.002 local terms energy: -23.357858 where: bonds (distance) C4'-P energy: -4.514 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.209 flat angles P-C4'-P energy: -4.953 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: 5, replica: 4 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -33.775520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.775520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.775520 (E_RNA) where: Base-Base interactions energy: -6.642 where: short stacking energy: -6.642 Base-Backbone interact. energy: -0.002 local terms energy: -27.131423 where: bonds (distance) C4'-P energy: -6.845 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -5.710 flat angles P-C4'-P energy: -5.064 tors. eta vs tors. theta energy: -2.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -29.475618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.475618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.475618 (E_RNA) where: Base-Base interactions energy: -7.469 where: short stacking energy: -7.469 Base-Backbone interact. energy: -0.003 local terms energy: -22.003228 where: bonds (distance) C4'-P energy: -4.916 bonds (distance) P-C4' energy: -5.786 flat angles C4'-P-C4' energy: -5.905 flat angles P-C4'-P energy: -3.778 tors. eta vs tors. theta energy: -1.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -35.789714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.789714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.789714 (E_RNA) where: Base-Base interactions energy: -10.622 where: short stacking energy: -10.622 Base-Backbone interact. energy: -0.088 local terms energy: -25.079714 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.177 flat angles P-C4'-P energy: -3.778 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: 8, replica: 7 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -36.315780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.315780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.315780 (E_RNA) where: Base-Base interactions energy: -10.221 where: short stacking energy: -10.221 Base-Backbone interact. energy: -0.001 local terms energy: -26.093866 where: bonds (distance) C4'-P energy: -5.795 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -4.432 flat angles P-C4'-P energy: -5.675 tors. eta vs tors. theta energy: -4.430 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: 9, replica: 5 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -30.548713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.548713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.548713 (E_RNA) where: Base-Base interactions energy: -6.400 where: short stacking energy: -6.400 Base-Backbone interact. energy: -0.000 local terms energy: -24.148253 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -7.008 flat angles P-C4'-P energy: -3.446 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: 10, replica: 9 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -26.668455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.668455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.668455 (E_RNA) where: Base-Base interactions energy: -3.444 where: short stacking energy: -3.444 Base-Backbone interact. energy: -0.000 local terms energy: -23.224314 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -7.182 flat angles P-C4'-P energy: -2.377 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: 1, replica: 10 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -38.535335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.535335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.535335 (E_RNA) where: Base-Base interactions energy: -10.798 where: short stacking energy: -10.798 Base-Backbone interact. energy: -0.007 local terms energy: -27.729695 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.658 flat angles P-C4'-P energy: -2.500 tors. eta vs tors. theta energy: -4.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -44.314287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.314287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.314287 (E_RNA) where: Base-Base interactions energy: -14.609 where: short stacking energy: -14.609 Base-Backbone interact. energy: -0.000 local terms energy: -29.704594 where: bonds (distance) C4'-P energy: -5.903 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.196 flat angles P-C4'-P energy: -5.252 tors. eta vs tors. theta energy: -4.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -35.895495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.895495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.895495 (E_RNA) where: Base-Base interactions energy: -8.842 where: short stacking energy: -8.842 Base-Backbone interact. energy: -0.017 local terms energy: -27.036483 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -5.290 flat angles P-C4'-P energy: -5.123 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: 4, replica: 8 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -34.705365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.705365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.705365 (E_RNA) where: Base-Base interactions energy: -7.737 where: short stacking energy: -7.737 Base-Backbone interact. energy: -0.612 local terms energy: -26.355887 where: bonds (distance) C4'-P energy: -5.604 bonds (distance) P-C4' energy: -5.720 flat angles C4'-P-C4' energy: -6.342 flat angles P-C4'-P energy: -5.387 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: 5, replica: 4 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -33.915870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.915870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.915870 (E_RNA) where: Base-Base interactions energy: -11.834 where: short stacking energy: -11.834 Base-Backbone interact. energy: -0.000 local terms energy: -22.081731 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -7.833 flat angles P-C4'-P energy: -0.237 tors. eta vs tors. theta energy: -2.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -30.569549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.569549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.569549 (E_RNA) where: Base-Base interactions energy: -6.823 where: short stacking energy: -7.609 Base-Backbone interact. energy: -0.004 local terms energy: -23.742281 where: bonds (distance) C4'-P energy: -5.209 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -7.013 flat angles P-C4'-P energy: -4.981 tors. eta vs tors. theta energy: 0.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -33.832258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.832258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.832258 (E_RNA) where: Base-Base interactions energy: -9.936 where: short stacking energy: -9.936 Base-Backbone interact. energy: -0.000 local terms energy: -23.895560 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -5.504 flat angles C4'-P-C4' energy: -5.932 flat angles P-C4'-P energy: -3.216 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: 8, replica: 1 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -27.025204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.025204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.025204 (E_RNA) where: Base-Base interactions energy: -6.081 where: short stacking energy: -6.081 Base-Backbone interact. energy: -0.026 local terms energy: -20.918565 where: bonds (distance) C4'-P energy: -5.264 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.749 flat angles P-C4'-P energy: -2.989 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: 9, replica: 9 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -30.227205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.227205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.227205 (E_RNA) where: Base-Base interactions energy: -7.100 where: short stacking energy: -7.100 Base-Backbone interact. energy: -0.161 local terms energy: -22.966443 where: bonds (distance) C4'-P energy: -5.077 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.877 flat angles P-C4'-P energy: -2.743 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: 10, replica: 5 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -26.316107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.316107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.316107 (E_RNA) where: Base-Base interactions energy: -5.949 where: short stacking energy: -5.949 Base-Backbone interact. energy: -0.002 local terms energy: -20.365477 where: bonds (distance) C4'-P energy: -2.767 bonds (distance) P-C4' energy: -6.103 flat angles C4'-P-C4' energy: -2.483 flat angles P-C4'-P energy: -3.910 tors. eta vs tors. theta energy: -5.102 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: 301 Temperature: 0.900000 Total energy: -39.840333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.840333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.840333 (E_RNA) where: Base-Base interactions energy: -14.230 where: short stacking energy: -14.230 Base-Backbone interact. energy: -0.000 local terms energy: -25.609995 where: bonds (distance) C4'-P energy: -6.188 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -3.834 flat angles P-C4'-P energy: -5.799 tors. eta vs tors. theta energy: -3.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -33.515921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.515921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.515921 (E_RNA) where: Base-Base interactions energy: -8.080 where: short stacking energy: -8.080 Base-Backbone interact. energy: -0.041 local terms energy: -25.394796 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -5.473 flat angles C4'-P-C4' energy: -7.364 flat angles P-C4'-P energy: -4.738 tors. eta vs tors. theta energy: -2.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -32.317500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.317500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.317500 (E_RNA) where: Base-Base interactions energy: -7.892 where: short stacking energy: -7.892 Base-Backbone interact. energy: -0.067 local terms energy: -24.358566 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -4.448 flat angles P-C4'-P energy: -4.203 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: 4, replica: 4 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -39.488473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.488473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.488473 (E_RNA) where: Base-Base interactions energy: -13.267 where: short stacking energy: -13.267 Base-Backbone interact. energy: -0.000 local terms energy: -26.221152 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.341 flat angles P-C4'-P energy: -5.863 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: 5, replica: 8 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -34.342172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.342172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.342172 (E_RNA) where: Base-Base interactions energy: -11.165 where: short stacking energy: -11.165 Base-Backbone interact. energy: -0.000 local terms energy: -23.176871 where: bonds (distance) C4'-P energy: -5.877 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -4.042 flat angles P-C4'-P energy: -3.867 tors. eta vs tors. theta energy: -2.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -31.232111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.232111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.232111 (E_RNA) where: Base-Base interactions energy: -8.018 where: short stacking energy: -8.018 Base-Backbone interact. energy: -0.683 local terms energy: -22.530630 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -6.089 flat angles P-C4'-P energy: -2.095 tors. eta vs tors. theta energy: -2.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -32.791827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.791827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.791827 (E_RNA) where: Base-Base interactions energy: -8.954 where: short stacking energy: -8.954 Base-Backbone interact. energy: -0.027 local terms energy: -23.810707 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -1.971 flat angles P-C4'-P energy: -5.023 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: 8, replica: 9 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -31.866218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.866218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.866218 (E_RNA) where: Base-Base interactions energy: -7.079 where: short stacking energy: -7.079 Base-Backbone interact. energy: -0.002 local terms energy: -24.784917 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -5.848 flat angles C4'-P-C4' energy: -6.604 flat angles P-C4'-P energy: -5.335 tors. eta vs tors. theta energy: -0.562 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: 9, replica: 1 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -29.517355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.517355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.517355 (E_RNA) where: Base-Base interactions energy: -7.558 where: short stacking energy: -7.558 Base-Backbone interact. energy: -0.001 local terms energy: -21.958980 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.691 flat angles P-C4'-P energy: -3.982 tors. eta vs tors. theta energy: 2.506 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: 10, replica: 5 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -29.068405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.068405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.068405 (E_RNA) where: Base-Base interactions energy: -6.040 where: short stacking energy: -6.040 Base-Backbone interact. energy: -0.047 local terms energy: -22.980711 where: bonds (distance) C4'-P energy: -4.203 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -7.383 flat angles P-C4'-P energy: -4.352 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: 1, replica: 2 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -35.122529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.122529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.122529 (E_RNA) where: Base-Base interactions energy: -8.279 where: short stacking energy: -6.575 Base-Backbone interact. energy: -1.053 local terms energy: -25.790799 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.976 flat angles P-C4'-P energy: -3.598 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: 2, replica: 10 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -34.626390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.626390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.626390 (E_RNA) where: Base-Base interactions energy: -4.930 where: short stacking energy: -4.930 Base-Backbone interact. energy: -0.042 local terms energy: -29.654884 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.292 flat angles P-C4'-P energy: -4.649 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: 3, replica: 4 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -32.794088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.794088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.794088 (E_RNA) where: Base-Base interactions energy: -11.032 where: short stacking energy: -11.032 Base-Backbone interact. energy: -0.031 local terms energy: -21.730779 where: bonds (distance) C4'-P energy: -4.130 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -3.498 flat angles P-C4'-P energy: -4.639 tors. eta vs tors. theta energy: -1.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -38.492937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.492937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.492937 (E_RNA) where: Base-Base interactions energy: -12.040 where: short stacking energy: -12.040 Base-Backbone interact. energy: -0.000 local terms energy: -26.452950 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -5.254 flat angles C4'-P-C4' energy: -5.436 flat angles P-C4'-P energy: -3.921 tors. eta vs tors. theta energy: -4.971 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: 8 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -38.421496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.421496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.421496 (E_RNA) where: Base-Base interactions energy: -11.782 where: short stacking energy: -11.782 Base-Backbone interact. energy: -0.024 local terms energy: -26.615435 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -7.005 flat angles P-C4'-P energy: -4.837 tors. eta vs tors. theta energy: -2.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -28.970934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.970934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.970934 (E_RNA) where: Base-Base interactions energy: -4.886 where: short stacking energy: -4.886 Base-Backbone interact. energy: -0.406 local terms energy: -23.679073 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -5.428 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: 9 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -30.924310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.924310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.924310 (E_RNA) where: Base-Base interactions energy: -8.919 where: short stacking energy: -8.919 Base-Backbone interact. energy: -0.018 local terms energy: -21.986911 where: bonds (distance) C4'-P energy: -5.787 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.789 flat angles P-C4'-P energy: -5.935 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: 8, replica: 6 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -25.493128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.493128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.493128 (E_RNA) where: Base-Base interactions energy: -7.962 where: short stacking energy: -7.962 Base-Backbone interact. energy: -0.178 local terms energy: -17.353420 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -1.144 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: 9, replica: 5 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -29.676119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.676119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.676119 (E_RNA) where: Base-Base interactions energy: -7.942 where: short stacking energy: -7.942 Base-Backbone interact. energy: -1.018 local terms energy: -20.716729 where: bonds (distance) C4'-P energy: -5.049 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -5.392 flat angles P-C4'-P energy: -1.684 tors. eta vs tors. theta energy: -1.269 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: 302 Temperature: 1.350000 Total energy: -30.423960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.423960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.423960 (E_RNA) where: Base-Base interactions energy: -10.086 where: short stacking energy: -10.086 Base-Backbone interact. energy: -0.034 local terms energy: -20.304370 where: bonds (distance) C4'-P energy: -4.705 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -5.313 flat angles P-C4'-P energy: -2.654 tors. eta vs tors. theta energy: -0.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -35.423835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.423835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.423835 (E_RNA) where: Base-Base interactions energy: -9.404 where: short stacking energy: -9.404 Base-Backbone interact. energy: -0.000 local terms energy: -26.019719 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -4.759 flat angles P-C4'-P energy: -4.296 tors. eta vs tors. theta energy: -2.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -38.055054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.055054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.055054 (E_RNA) where: Base-Base interactions energy: -7.378 where: short stacking energy: -7.141 Base-Backbone interact. energy: -0.000 local terms energy: -30.677185 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -7.165 flat angles P-C4'-P energy: -5.215 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: 3, replica: 10 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -33.920846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.920846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.920846 (E_RNA) where: Base-Base interactions energy: -8.319 where: short stacking energy: -8.319 Base-Backbone interact. energy: -0.000 local terms energy: -25.601856 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.074 flat angles P-C4'-P energy: -4.180 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: 8 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -33.775067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.775067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.775067 (E_RNA) where: Base-Base interactions energy: -11.918 where: short stacking energy: -11.918 Base-Backbone interact. energy: -0.068 local terms energy: -21.789327 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -6.562 flat angles C4'-P-C4' energy: -4.576 flat angles P-C4'-P energy: -2.106 tors. eta vs tors. theta energy: -1.530 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: 5, replica: 3 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -33.250484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.250484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.250484 (E_RNA) where: Base-Base interactions energy: -7.251 where: short stacking energy: -7.251 Base-Backbone interact. energy: -0.209 local terms energy: -25.790016 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -6.558 flat angles P-C4'-P energy: -3.936 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: 6, replica: 9 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -37.220308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.220308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.220308 (E_RNA) where: Base-Base interactions energy: -10.312 where: short stacking energy: -10.312 Base-Backbone interact. energy: -0.000 local terms energy: -26.907965 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -5.720 flat angles C4'-P-C4' energy: -5.787 flat angles P-C4'-P energy: -3.652 tors. eta vs tors. theta energy: -4.763 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: 7 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -30.669996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.669996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.669996 (E_RNA) where: Base-Base interactions energy: -6.926 where: short stacking energy: -6.926 Base-Backbone interact. energy: -0.112 local terms energy: -23.631890 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.516 flat angles P-C4'-P energy: -3.587 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: 8, replica: 5 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -31.881482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.881482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.881482 (E_RNA) where: Base-Base interactions energy: -7.872 where: short stacking energy: -7.872 Base-Backbone interact. energy: -0.076 local terms energy: -23.932672 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -5.035 flat angles C4'-P-C4' energy: -5.292 flat angles P-C4'-P energy: -2.925 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: 9, replica: 6 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -29.640524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.640524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.640524 (E_RNA) where: Base-Base interactions energy: -5.389 where: short stacking energy: -4.848 Base-Backbone interact. energy: -0.104 local terms energy: -24.146719 where: bonds (distance) C4'-P energy: -4.137 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.126 flat angles P-C4'-P energy: -3.967 tors. eta vs tors. theta energy: -1.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -31.032005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.032005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.032005 (E_RNA) where: Base-Base interactions energy: -7.799 where: short stacking energy: -7.799 Base-Backbone interact. energy: -0.101 local terms energy: -23.131988 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -5.876 flat angles C4'-P-C4' energy: -6.233 flat angles P-C4'-P energy: -3.628 tors. eta vs tors. theta energy: -0.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -36.831559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.831559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.831559 (E_RNA) where: Base-Base interactions energy: -8.650 where: short stacking energy: -8.650 Base-Backbone interact. energy: -0.038 local terms energy: -28.143845 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -7.311 flat angles P-C4'-P energy: -5.697 tors. eta vs tors. theta energy: -0.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -40.842643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.842643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.842643 (E_RNA) where: Base-Base interactions energy: -15.040 where: short stacking energy: -15.040 Base-Backbone interact. energy: -0.000 local terms energy: -25.802694 where: bonds (distance) C4'-P energy: -5.421 bonds (distance) P-C4' energy: -5.745 flat angles C4'-P-C4' energy: -6.019 flat angles P-C4'-P energy: -3.633 tors. eta vs tors. theta energy: -4.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -35.587086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.587086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.587086 (E_RNA) where: Base-Base interactions energy: -7.462 where: short stacking energy: -7.462 Base-Backbone interact. energy: -0.002 local terms energy: -28.123086 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.256 flat angles C4'-P-C4' energy: -7.344 flat angles P-C4'-P energy: -2.609 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: 4, replica: 10 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -32.928857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.928857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.928857 (E_RNA) where: Base-Base interactions energy: -6.837 where: short stacking energy: -6.837 Base-Backbone interact. energy: -0.002 local terms energy: -26.089563 where: bonds (distance) C4'-P energy: -4.465 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.406 flat angles P-C4'-P energy: -4.657 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: 5, replica: 9 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -38.752570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.752570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.752570 (E_RNA) where: Base-Base interactions energy: -13.877 where: short stacking energy: -12.368 Base-Backbone interact. energy: -0.044 local terms energy: -24.831789 where: bonds (distance) C4'-P energy: -2.148 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.783 flat angles P-C4'-P energy: -4.349 tors. eta vs tors. theta energy: -4.759 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: 3 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -31.251501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.251501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.251501 (E_RNA) where: Base-Base interactions energy: -5.815 where: short stacking energy: -5.815 Base-Backbone interact. energy: -0.021 local terms energy: -25.416223 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -7.284 flat angles P-C4'-P energy: -3.402 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: 7, replica: 5 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -31.207251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.207251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.207251 (E_RNA) where: Base-Base interactions energy: -7.247 where: short stacking energy: -7.247 Base-Backbone interact. energy: 0.190 local terms energy: -24.149760 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -6.888 flat angles P-C4'-P energy: -2.511 tors. eta vs tors. theta energy: -3.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -33.181060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.181060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.181060 (E_RNA) where: Base-Base interactions energy: -7.316 where: short stacking energy: -7.316 Base-Backbone interact. energy: -0.084 local terms energy: -25.780726 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -4.269 tors. eta vs tors. theta energy: -1.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -31.573984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.573984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.573984 (E_RNA) where: Base-Base interactions energy: -6.781 where: short stacking energy: -6.781 Base-Backbone interact. energy: -0.083 local terms energy: -24.709033 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -4.591 flat angles C4'-P-C4' energy: -5.851 flat angles P-C4'-P energy: -5.572 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: 10, replica: 6 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -30.534844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.534844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.534844 (E_RNA) where: Base-Base interactions energy: -7.424 where: short stacking energy: -7.624 Base-Backbone interact. energy: -0.024 local terms energy: -23.086225 where: bonds (distance) C4'-P energy: -6.970 bonds (distance) P-C4' energy: -6.565 flat angles C4'-P-C4' energy: -3.480 flat angles P-C4'-P energy: -4.356 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: 1, replica: 4 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -36.137241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.137241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.137241 (E_RNA) where: Base-Base interactions energy: -10.123 where: short stacking energy: -10.123 Base-Backbone interact. energy: -0.125 local terms energy: -25.889734 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.004 flat angles P-C4'-P energy: -3.912 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: 2 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -38.756936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.756936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.756936 (E_RNA) where: Base-Base interactions energy: -11.547 where: short stacking energy: -11.547 Base-Backbone interact. energy: -0.000 local terms energy: -27.209097 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -6.290 flat angles C4'-P-C4' energy: -6.458 flat angles P-C4'-P energy: -3.755 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: 3, replica: 8 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -33.681937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.681937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.681937 (E_RNA) where: Base-Base interactions energy: -10.733 where: short stacking energy: -10.733 Base-Backbone interact. energy: -0.001 local terms energy: -22.948697 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.287 flat angles P-C4'-P energy: -4.726 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: 4, replica: 9 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -34.177652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.177652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.177652 (E_RNA) where: Base-Base interactions energy: -9.220 where: short stacking energy: -9.220 Base-Backbone interact. energy: -0.018 local terms energy: -24.939467 where: bonds (distance) C4'-P energy: -5.599 bonds (distance) P-C4' energy: -5.121 flat angles C4'-P-C4' energy: -5.898 flat angles P-C4'-P energy: -4.762 tors. eta vs tors. theta energy: -3.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -35.024538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.024538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.024538 (E_RNA) where: Base-Base interactions energy: -10.327 where: short stacking energy: -10.140 Base-Backbone interact. energy: -0.056 local terms energy: -24.641892 where: bonds (distance) C4'-P energy: -5.248 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.448 flat angles P-C4'-P energy: -4.539 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: 6, replica: 5 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -28.262253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.262253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.262253 (E_RNA) where: Base-Base interactions energy: -8.770 where: short stacking energy: -8.770 Base-Backbone interact. energy: -0.099 local terms energy: -19.392478 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -2.997 flat angles P-C4'-P energy: -4.537 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: 7, replica: 3 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -29.797379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.797379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.797379 (E_RNA) where: Base-Base interactions energy: -6.708 where: short stacking energy: -6.627 Base-Backbone interact. energy: -0.229 local terms energy: -22.860332 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -4.252 flat angles P-C4'-P energy: -3.930 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: 8, replica: 1 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -31.693263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.693263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.693263 (E_RNA) where: Base-Base interactions energy: -7.038 where: short stacking energy: -7.038 Base-Backbone interact. energy: -0.036 local terms energy: -24.619211 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.296 flat angles P-C4'-P energy: -5.356 tors. eta vs tors. theta energy: -0.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -28.518660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.518660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.518660 (E_RNA) where: Base-Base interactions energy: -7.211 where: short stacking energy: -7.211 Base-Backbone interact. energy: -0.253 local terms energy: -21.054602 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -4.832 flat angles P-C4'-P energy: -3.697 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: 10, replica: 6 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -30.832603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.832603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.832603 (E_RNA) where: Base-Base interactions energy: -9.134 where: short stacking energy: -9.134 Base-Backbone interact. energy: -0.049 local terms energy: -21.649735 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.159 flat angles P-C4'-P energy: -2.047 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: 306 Temperature: 0.900000 Total energy: -35.261049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.261049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.261049 (E_RNA) where: Base-Base interactions energy: -11.839 where: short stacking energy: -11.839 Base-Backbone interact. energy: -0.008 local terms energy: -23.414248 where: bonds (distance) C4'-P energy: -5.335 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.019 flat angles P-C4'-P energy: -4.068 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: 2, replica: 4 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -37.568829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.568829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.568829 (E_RNA) where: Base-Base interactions energy: -9.966 where: short stacking energy: -9.966 Base-Backbone interact. energy: -1.724 local terms energy: -25.878710 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -5.596 flat angles P-C4'-P energy: -4.675 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: 3, replica: 9 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -39.007251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.007251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.007251 (E_RNA) where: Base-Base interactions energy: -14.268 where: short stacking energy: -14.268 Base-Backbone interact. energy: -0.001 local terms energy: -24.739216 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -4.890 flat angles P-C4'-P energy: -3.481 tors. eta vs tors. theta energy: -4.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -37.545705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.545705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.545705 (E_RNA) where: Base-Base interactions energy: -12.776 where: short stacking energy: -12.776 Base-Backbone interact. energy: -0.048 local terms energy: -24.722054 where: bonds (distance) C4'-P energy: -4.788 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -5.081 flat angles P-C4'-P energy: -5.579 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: 5 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -40.070556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.070556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.070556 (E_RNA) where: Base-Base interactions energy: -10.862 where: short stacking energy: -8.847 Base-Backbone interact. energy: -0.019 local terms energy: -29.189500 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -6.176 flat angles P-C4'-P energy: -3.766 tors. eta vs tors. theta energy: -6.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -33.921075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.921075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.921075 (E_RNA) where: Base-Base interactions energy: -13.331 where: short stacking energy: -13.331 Base-Backbone interact. energy: -0.000 local terms energy: -20.589952 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -4.727 flat angles P-C4'-P energy: -1.620 tors. eta vs tors. theta energy: -0.303 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: 1 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -32.683192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.683192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.683192 (E_RNA) where: Base-Base interactions energy: -9.124 where: short stacking energy: -9.124 Base-Backbone interact. energy: -0.093 local terms energy: -23.466537 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -4.201 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: 8, replica: 3 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -29.046229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.046229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.046229 (E_RNA) where: Base-Base interactions energy: -7.806 where: short stacking energy: -6.161 Base-Backbone interact. energy: -0.004 local terms energy: -21.236032 where: bonds (distance) C4'-P energy: -4.014 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -7.077 flat angles P-C4'-P energy: -2.563 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: 9, replica: 7 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -29.437959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.437959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.437959 (E_RNA) where: Base-Base interactions energy: -6.993 where: short stacking energy: -7.193 Base-Backbone interact. energy: -0.099 local terms energy: -22.346162 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -6.762 flat angles C4'-P-C4' energy: -6.629 flat angles P-C4'-P energy: -3.801 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: 10, replica: 6 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -28.188155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.188155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.188155 (E_RNA) where: Base-Base interactions energy: -8.027 where: short stacking energy: -8.027 Base-Backbone interact. energy: -0.061 local terms energy: -20.099976 where: bonds (distance) C4'-P energy: -3.828 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.148 flat angles P-C4'-P energy: -4.411 tors. eta vs tors. theta energy: 0.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -38.068047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.068047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.068047 (E_RNA) where: Base-Base interactions energy: -10.563 where: short stacking energy: -10.563 Base-Backbone interact. energy: -0.174 local terms energy: -27.330549 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.700 flat angles P-C4'-P energy: -3.788 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: 2, replica: 9 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -40.856809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.856809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.856809 (E_RNA) where: Base-Base interactions energy: -11.758 where: short stacking energy: -11.758 Base-Backbone interact. energy: -0.015 local terms energy: -29.084414 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -7.347 flat angles P-C4'-P energy: -4.956 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: 3, replica: 4 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -38.409746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.409746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.409746 (E_RNA) where: Base-Base interactions energy: -13.109 where: short stacking energy: -13.109 Base-Backbone interact. energy: -0.000 local terms energy: -25.301125 where: bonds (distance) C4'-P energy: -4.660 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -4.219 flat angles P-C4'-P energy: -3.689 tors. eta vs tors. theta energy: -5.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -40.395343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.395343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.395343 (E_RNA) where: Base-Base interactions energy: -13.573 where: short stacking energy: -13.573 Base-Backbone interact. energy: -0.006 local terms energy: -26.815386 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.839 flat angles P-C4'-P energy: -5.321 tors. eta vs tors. theta energy: -3.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -36.713789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.713789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.713789 (E_RNA) where: Base-Base interactions energy: -11.014 where: short stacking energy: -11.014 Base-Backbone interact. energy: -0.000 local terms energy: -25.699541 where: bonds (distance) C4'-P energy: -3.906 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.784 flat angles P-C4'-P energy: -3.111 tors. eta vs tors. theta energy: -5.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -31.022030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.022030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.022030 (E_RNA) where: Base-Base interactions energy: -11.048 where: short stacking energy: -11.048 Base-Backbone interact. energy: -0.000 local terms energy: -19.974018 where: bonds (distance) C4'-P energy: -3.472 bonds (distance) P-C4' energy: -6.731 flat angles C4'-P-C4' energy: -5.742 flat angles P-C4'-P energy: 1.605 tors. eta vs tors. theta energy: -5.635 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: 10 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -32.736345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.736345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.736345 (E_RNA) where: Base-Base interactions energy: -7.072 where: short stacking energy: -7.072 Base-Backbone interact. energy: -0.002 local terms energy: -25.662188 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.532 flat angles P-C4'-P energy: -4.072 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: 8, replica: 7 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -34.394896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.394896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.394896 (E_RNA) where: Base-Base interactions energy: -10.858 where: short stacking energy: -10.858 Base-Backbone interact. energy: -0.074 local terms energy: -23.462723 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -5.713 flat angles C4'-P-C4' energy: -5.367 flat angles P-C4'-P energy: -5.390 tors. eta vs tors. theta energy: -2.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -29.871166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.871166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.871166 (E_RNA) where: Base-Base interactions energy: -3.036 where: short stacking energy: -3.036 Base-Backbone interact. energy: -0.111 local terms energy: -26.723961 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.905 flat angles P-C4'-P energy: -5.317 tors. eta vs tors. theta energy: -2.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -29.648367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.648367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.648367 (E_RNA) where: Base-Base interactions energy: -8.169 where: short stacking energy: -8.169 Base-Backbone interact. energy: -0.146 local terms energy: -21.333208 where: bonds (distance) C4'-P energy: -4.403 bonds (distance) P-C4' energy: -6.547 flat angles C4'-P-C4' energy: -6.551 flat angles P-C4'-P energy: -2.307 tors. eta vs tors. theta energy: -1.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -42.390634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.390634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.390634 (E_RNA) where: Base-Base interactions energy: -12.132 where: short stacking energy: -12.132 Base-Backbone interact. energy: -0.000 local terms energy: -30.258659 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -4.975 flat angles P-C4'-P energy: -5.810 tors. eta vs tors. theta energy: -6.872 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: 2 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -39.279730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.279730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.279730 (E_RNA) where: Base-Base interactions energy: -9.414 where: short stacking energy: -9.414 Base-Backbone interact. energy: -0.000 local terms energy: -29.865451 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -7.357 flat angles P-C4'-P energy: -4.596 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: 3, replica: 4 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -37.256536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.256536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.256536 (E_RNA) where: Base-Base interactions energy: -9.043 where: short stacking energy: -9.043 Base-Backbone interact. energy: -0.111 local terms energy: -28.102594 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.338 flat angles P-C4'-P energy: -3.109 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: 4, replica: 5 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -35.533382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.533382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.533382 (E_RNA) where: Base-Base interactions energy: -8.464 where: short stacking energy: -8.464 Base-Backbone interact. energy: -0.004 local terms energy: -27.064630 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.420 flat angles P-C4'-P energy: -4.538 tors. eta vs tors. theta energy: -3.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -31.773528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.773528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.773528 (E_RNA) where: Base-Base interactions energy: -7.313 where: short stacking energy: -7.313 Base-Backbone interact. energy: -0.001 local terms energy: -24.460040 where: bonds (distance) C4'-P energy: -5.131 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -7.417 flat angles P-C4'-P energy: -3.324 tors. eta vs tors. theta energy: -1.476 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: 8 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -32.932193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.932193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.932193 (E_RNA) where: Base-Base interactions energy: -8.748 where: short stacking energy: -8.748 Base-Backbone interact. energy: -0.024 local terms energy: -24.160602 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.035 flat angles P-C4'-P energy: -1.816 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: 7, replica: 7 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -32.283241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.283241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.283241 (E_RNA) where: Base-Base interactions energy: -9.348 where: short stacking energy: -9.348 Base-Backbone interact. energy: -0.007 local terms energy: -22.928324 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.212 flat angles P-C4'-P energy: -4.130 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: 10 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -33.263537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.263537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.263537 (E_RNA) where: Base-Base interactions energy: -6.521 where: short stacking energy: -6.521 Base-Backbone interact. energy: -0.640 local terms energy: -26.102741 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -7.499 flat angles P-C4'-P energy: -4.400 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: 9, replica: 6 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -29.815039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.815039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.815039 (E_RNA) where: Base-Base interactions energy: -5.831 where: short stacking energy: -5.831 Base-Backbone interact. energy: -0.001 local terms energy: -23.982866 where: bonds (distance) C4'-P energy: -4.821 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.647 flat angles P-C4'-P energy: -4.760 tors. eta vs tors. theta energy: -0.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -32.221246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.221246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.221246 (E_RNA) where: Base-Base interactions energy: -9.771 where: short stacking energy: -9.771 Base-Backbone interact. energy: -0.000 local terms energy: -22.449906 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.526 flat angles C4'-P-C4' energy: -5.541 flat angles P-C4'-P energy: -3.256 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: 1, replica: 9 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -44.460049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.460049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.460049 (E_RNA) where: Base-Base interactions energy: -15.273 where: short stacking energy: -15.273 Base-Backbone interact. energy: -0.003 local terms energy: -29.183771 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.888 flat angles P-C4'-P energy: -5.508 tors. eta vs tors. theta energy: -3.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -39.883789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.883789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.883789 (E_RNA) where: Base-Base interactions energy: -11.707 where: short stacking energy: -11.707 Base-Backbone interact. energy: -0.002 local terms energy: -28.175001 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -5.797 flat angles P-C4'-P energy: -3.781 tors. eta vs tors. theta energy: -5.550 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: 3, replica: 2 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -41.255566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.255566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.255566 (E_RNA) where: Base-Base interactions energy: -13.434 where: short stacking energy: -13.434 Base-Backbone interact. energy: -0.000 local terms energy: -27.820902 where: bonds (distance) C4'-P energy: -5.752 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.821 flat angles P-C4'-P energy: -5.238 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: 4, replica: 1 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -31.902623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.902623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.902623 (E_RNA) where: Base-Base interactions energy: -9.985 where: short stacking energy: -9.985 Base-Backbone interact. energy: -0.026 local terms energy: -21.891010 where: bonds (distance) C4'-P energy: -5.185 bonds (distance) P-C4' energy: -5.044 flat angles C4'-P-C4' energy: -5.927 flat angles P-C4'-P energy: -3.418 tors. eta vs tors. theta energy: -2.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -35.627866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.627866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.627866 (E_RNA) where: Base-Base interactions energy: -8.131 where: short stacking energy: -8.131 Base-Backbone interact. energy: -0.084 local terms energy: -27.412109 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.952 flat angles P-C4'-P energy: -5.232 tors. eta vs tors. theta energy: -1.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -30.672768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.672768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.672768 (E_RNA) where: Base-Base interactions energy: -5.191 where: short stacking energy: -4.775 Base-Backbone interact. energy: -0.562 local terms energy: -24.918863 where: bonds (distance) C4'-P energy: -5.426 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.428 flat angles P-C4'-P energy: -5.308 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: 7, replica: 8 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -31.963453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.963453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.963453 (E_RNA) where: Base-Base interactions energy: -7.370 where: short stacking energy: -7.370 Base-Backbone interact. energy: -0.062 local terms energy: -24.531536 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.544 flat angles C4'-P-C4' energy: -5.059 flat angles P-C4'-P energy: -4.704 tors. eta vs tors. theta energy: -1.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -26.919146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.919146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.919146 (E_RNA) where: Base-Base interactions energy: -6.207 where: short stacking energy: -6.207 Base-Backbone interact. energy: -0.111 local terms energy: -20.601709 where: bonds (distance) C4'-P energy: -4.986 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -3.275 tors. eta vs tors. theta energy: -0.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -24.747777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.747777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.747777 (E_RNA) where: Base-Base interactions energy: -6.064 where: short stacking energy: -4.196 Base-Backbone interact. energy: -0.015 local terms energy: -18.668785 where: bonds (distance) C4'-P energy: -5.405 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -3.108 flat angles P-C4'-P energy: -3.257 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: 10, replica: 3 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -28.776665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.776665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.776665 (E_RNA) where: Base-Base interactions energy: -5.418 where: short stacking energy: -5.418 Base-Backbone interact. energy: -0.055 local terms energy: -23.303798 where: bonds (distance) C4'-P energy: -3.889 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.247 flat angles P-C4'-P energy: -5.382 tors. eta vs tors. theta energy: -0.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -37.817946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.817946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.817946 (E_RNA) where: Base-Base interactions energy: -13.095 where: short stacking energy: -13.044 Base-Backbone interact. energy: -0.085 local terms energy: -24.638149 where: bonds (distance) C4'-P energy: -4.792 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -5.788 flat angles P-C4'-P energy: -5.053 tors. eta vs tors. theta energy: -2.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -37.941244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.941244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.941244 (E_RNA) where: Base-Base interactions energy: -12.726 where: short stacking energy: -12.733 Base-Backbone interact. energy: -0.047 local terms energy: -25.168461 where: bonds (distance) C4'-P energy: -6.151 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -6.992 flat angles P-C4'-P energy: -3.991 tors. eta vs tors. theta energy: -2.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -32.227644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.227644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.227644 (E_RNA) where: Base-Base interactions energy: -5.088 where: short stacking energy: -5.088 Base-Backbone interact. energy: -0.017 local terms energy: -27.122268 where: bonds (distance) C4'-P energy: -7.425 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.690 flat angles P-C4'-P energy: -4.944 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: 4, replica: 1 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -35.379031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.379031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.379031 (E_RNA) where: Base-Base interactions energy: -12.038 where: short stacking energy: -12.038 Base-Backbone interact. energy: -0.058 local terms energy: -23.283018 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.790 flat angles P-C4'-P energy: -3.778 tors. eta vs tors. theta energy: -0.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -30.855200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.855200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.855200 (E_RNA) where: Base-Base interactions energy: -10.941 where: short stacking energy: -9.961 Base-Backbone interact. energy: -0.031 local terms energy: -19.883122 where: bonds (distance) C4'-P energy: -6.924 bonds (distance) P-C4' energy: -5.952 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -2.576 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: 6, replica: 5 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -32.458333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.458333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.458333 (E_RNA) where: Base-Base interactions energy: -10.424 where: short stacking energy: -10.424 Base-Backbone interact. energy: -0.012 local terms energy: -22.023005 where: bonds (distance) C4'-P energy: -4.491 bonds (distance) P-C4' energy: -6.222 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -4.609 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: 7, replica: 8 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -31.571033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.571033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.571033 (E_RNA) where: Base-Base interactions energy: -10.612 where: short stacking energy: -10.612 Base-Backbone interact. energy: -0.002 local terms energy: -20.957017 where: bonds (distance) C4'-P energy: -4.494 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -2.338 flat angles P-C4'-P energy: -3.819 tors. eta vs tors. theta energy: -4.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -29.578817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.578817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.578817 (E_RNA) where: Base-Base interactions energy: -6.809 where: short stacking energy: -6.809 Base-Backbone interact. energy: -0.030 local terms energy: -22.740391 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -3.700 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: 9, replica: 3 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -27.952202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.952202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.952202 (E_RNA) where: Base-Base interactions energy: -5.813 where: short stacking energy: -5.813 Base-Backbone interact. energy: -0.001 local terms energy: -22.138106 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.191 flat angles P-C4'-P energy: -4.463 tors. eta vs tors. theta energy: -1.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -25.283307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.283307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.283307 (E_RNA) where: Base-Base interactions energy: -8.551 where: short stacking energy: -6.350 Base-Backbone interact. energy: -0.210 local terms energy: -16.522053 where: bonds (distance) C4'-P energy: -5.015 bonds (distance) P-C4' energy: -3.979 flat angles C4'-P-C4' energy: -3.552 flat angles P-C4'-P energy: -3.682 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: 1, replica: 4 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -38.656438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.656438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.656438 (E_RNA) where: Base-Base interactions energy: -11.802 where: short stacking energy: -11.802 Base-Backbone interact. energy: -0.000 local terms energy: -26.854065 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -5.164 flat angles P-C4'-P energy: -4.080 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: 2, replica: 2 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -37.627477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.627477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.627477 (E_RNA) where: Base-Base interactions energy: -14.255 where: short stacking energy: -14.255 Base-Backbone interact. energy: -0.177 local terms energy: -23.194734 where: bonds (distance) C4'-P energy: -5.202 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.011 flat angles P-C4'-P energy: -3.482 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: 3, replica: 9 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -31.200237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.200237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.200237 (E_RNA) where: Base-Base interactions energy: -6.007 where: short stacking energy: -4.957 Base-Backbone interact. energy: -0.000 local terms energy: -25.193653 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.004 flat angles P-C4'-P energy: -1.719 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: 4, replica: 7 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -35.760839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.760839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.760839 (E_RNA) where: Base-Base interactions energy: -7.697 where: short stacking energy: -7.697 Base-Backbone interact. energy: -0.000 local terms energy: -28.064050 where: bonds (distance) C4'-P energy: -4.970 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -3.226 tors. eta vs tors. theta energy: -6.260 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: 311 Temperature: 1.100000 Total energy: -33.928157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.928157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.928157 (E_RNA) where: Base-Base interactions energy: -12.366 where: short stacking energy: -12.366 Base-Backbone interact. energy: -0.058 local terms energy: -21.503423 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -6.241 flat angles C4'-P-C4' energy: -6.158 flat angles P-C4'-P energy: -3.174 tors. eta vs tors. theta energy: -1.519 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: 6, replica: 8 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -40.128216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.128216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.128216 (E_RNA) where: Base-Base interactions energy: -15.652 where: short stacking energy: -12.290 Base-Backbone interact. energy: -0.000 local terms energy: -24.475427 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -3.719 flat angles C4'-P-C4' energy: -6.129 flat angles P-C4'-P energy: -3.966 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: 7, replica: 5 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -29.609170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.609170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.609170 (E_RNA) where: Base-Base interactions energy: -5.718 where: short stacking energy: -5.718 Base-Backbone interact. energy: -0.079 local terms energy: -23.812482 where: bonds (distance) C4'-P energy: -4.279 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -6.137 flat angles P-C4'-P energy: -3.225 tors. eta vs tors. theta energy: -3.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -26.452054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.452054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.452054 (E_RNA) where: Base-Base interactions energy: -3.981 where: short stacking energy: -3.981 Base-Backbone interact. energy: -0.032 local terms energy: -22.439345 where: bonds (distance) C4'-P energy: -5.094 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.003 flat angles P-C4'-P energy: -3.072 tors. eta vs tors. theta energy: -0.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -28.882578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.882578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.882578 (E_RNA) where: Base-Base interactions energy: -7.914 where: short stacking energy: -7.914 Base-Backbone interact. energy: -0.003 local terms energy: -20.965302 where: bonds (distance) C4'-P energy: -5.008 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.823 flat angles P-C4'-P energy: -3.457 tors. eta vs tors. theta energy: -1.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -26.995986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.995986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.995986 (E_RNA) where: Base-Base interactions energy: -1.586 where: short stacking energy: -1.586 Base-Backbone interact. energy: -0.039 local terms energy: -25.371756 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.342 flat angles P-C4'-P energy: -3.690 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: 1, replica: 2 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -39.450345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.450345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.450345 (E_RNA) where: Base-Base interactions energy: -11.063 where: short stacking energy: -10.576 Base-Backbone interact. energy: -0.791 local terms energy: -27.596482 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -6.995 flat angles C4'-P-C4' energy: -7.115 flat angles P-C4'-P energy: -4.640 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: 2, replica: 4 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -41.648991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.648991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.648991 (E_RNA) where: Base-Base interactions energy: -15.396 where: short stacking energy: -15.396 Base-Backbone interact. energy: -0.098 local terms energy: -26.154658 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -6.036 flat angles P-C4'-P energy: -3.871 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: 3, replica: 7 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -40.171510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.171510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.171510 (E_RNA) where: Base-Base interactions energy: -10.268 where: short stacking energy: -10.268 Base-Backbone interact. energy: -0.001 local terms energy: -29.902660 where: bonds (distance) C4'-P energy: -5.173 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -7.057 flat angles P-C4'-P energy: -4.143 tors. eta vs tors. theta energy: -5.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -36.828896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.828896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.828896 (E_RNA) where: Base-Base interactions energy: -10.728 where: short stacking energy: -10.728 Base-Backbone interact. energy: -0.003 local terms energy: -26.098078 where: bonds (distance) C4'-P energy: -5.488 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.661 flat angles P-C4'-P energy: -3.844 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: 5, replica: 8 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -33.592981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.592981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.592981 (E_RNA) where: Base-Base interactions energy: -7.989 where: short stacking energy: -7.989 Base-Backbone interact. energy: -0.005 local terms energy: -25.598480 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -7.806 flat angles C4'-P-C4' energy: -3.920 flat angles P-C4'-P energy: -4.759 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: 6, replica: 1 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -34.547266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.547266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.547266 (E_RNA) where: Base-Base interactions energy: -6.915 where: short stacking energy: -6.146 Base-Backbone interact. energy: -0.098 local terms energy: -27.534572 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.392 flat angles P-C4'-P energy: -6.318 tors. eta vs tors. theta energy: -1.528 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: 7, replica: 5 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -29.252665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.252665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.252665 (E_RNA) where: Base-Base interactions energy: -8.046 where: short stacking energy: -8.046 Base-Backbone interact. energy: -0.010 local terms energy: -21.197118 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -5.214 flat angles P-C4'-P energy: -2.856 tors. eta vs tors. theta energy: 0.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -30.513133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.513133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.513133 (E_RNA) where: Base-Base interactions energy: -7.284 where: short stacking energy: -7.284 Base-Backbone interact. energy: -0.211 local terms energy: -23.018850 where: bonds (distance) C4'-P energy: -5.231 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -6.371 flat angles P-C4'-P energy: -4.324 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: 10 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -27.642435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.642435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.642435 (E_RNA) where: Base-Base interactions energy: -5.035 where: short stacking energy: -5.035 Base-Backbone interact. energy: -0.006 local terms energy: -22.602082 where: bonds (distance) C4'-P energy: -4.768 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.772 flat angles P-C4'-P energy: -2.480 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: 10, replica: 6 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -28.483747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.483747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.483747 (E_RNA) where: Base-Base interactions energy: -8.135 where: short stacking energy: -6.947 Base-Backbone interact. energy: -0.269 local terms energy: -20.080157 where: bonds (distance) C4'-P energy: -5.273 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -1.408 tors. eta vs tors. theta energy: -0.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -35.682607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.682607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.682607 (E_RNA) where: Base-Base interactions energy: -8.332 where: short stacking energy: -8.332 Base-Backbone interact. energy: -0.022 local terms energy: -27.328455 where: bonds (distance) C4'-P energy: -5.959 bonds (distance) P-C4' energy: -7.023 flat angles C4'-P-C4' energy: -6.531 flat angles P-C4'-P energy: -4.251 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: 2, replica: 7 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -33.016798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.016798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.016798 (E_RNA) where: Base-Base interactions energy: -10.819 where: short stacking energy: -9.641 Base-Backbone interact. energy: 0.702 local terms energy: -22.899767 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -5.744 flat angles C4'-P-C4' energy: -5.615 flat angles P-C4'-P energy: -3.672 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: 4 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -37.629614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.629614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.629614 (E_RNA) where: Base-Base interactions energy: -11.307 where: short stacking energy: -11.307 Base-Backbone interact. energy: -0.002 local terms energy: -26.320199 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.201 flat angles P-C4'-P energy: -4.752 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: 4, replica: 8 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -28.806827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.806827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.806827 (E_RNA) where: Base-Base interactions energy: -4.195 where: short stacking energy: -4.195 Base-Backbone interact. energy: -0.094 local terms energy: -24.518257 where: bonds (distance) C4'-P energy: -6.523 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.790 flat angles P-C4'-P energy: -4.873 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: 9 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -34.628495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.628495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.628495 (E_RNA) where: Base-Base interactions energy: -8.856 where: short stacking energy: -8.856 Base-Backbone interact. energy: -0.120 local terms energy: -25.652503 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.771 flat angles P-C4'-P energy: -5.070 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: 6, replica: 5 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -34.968549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.968549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.968549 (E_RNA) where: Base-Base interactions energy: -14.374 where: short stacking energy: -14.374 Base-Backbone interact. energy: -0.064 local terms energy: -20.531019 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -5.603 flat angles C4'-P-C4' energy: -2.965 flat angles P-C4'-P energy: -1.366 tors. eta vs tors. theta energy: -4.563 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: 1 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -35.485272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.485272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.485272 (E_RNA) where: Base-Base interactions energy: -10.374 where: short stacking energy: -10.374 Base-Backbone interact. energy: -0.200 local terms energy: -24.911559 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -5.691 flat angles P-C4'-P energy: -5.187 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: 3 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -28.721196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.721196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.721196 (E_RNA) where: Base-Base interactions energy: -5.758 where: short stacking energy: -5.758 Base-Backbone interact. energy: -0.038 local terms energy: -22.925477 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -4.646 flat angles P-C4'-P energy: -1.905 tors. eta vs tors. theta energy: -3.458 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: 10 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -30.274382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.274382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.274382 (E_RNA) where: Base-Base interactions energy: -7.377 where: short stacking energy: -7.377 Base-Backbone interact. energy: -0.000 local terms energy: -22.897775 where: bonds (distance) C4'-P energy: -4.846 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -3.952 flat angles P-C4'-P energy: -5.408 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: 10, replica: 6 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -27.862219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.862219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.862219 (E_RNA) where: Base-Base interactions energy: -7.252 where: short stacking energy: -7.252 Base-Backbone interact. energy: -0.001 local terms energy: -20.609275 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -6.057 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -2.678 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: 1, replica: 7 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -46.151520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.151520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.151520 (E_RNA) where: Base-Base interactions energy: -14.399 where: short stacking energy: -14.399 Base-Backbone interact. energy: -0.000 local terms energy: -31.751933 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.177 flat angles P-C4'-P energy: -5.603 tors. eta vs tors. theta energy: -6.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -36.398645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.398645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.398645 (E_RNA) where: Base-Base interactions energy: -10.535 where: short stacking energy: -10.535 Base-Backbone interact. energy: -0.002 local terms energy: -25.861683 where: bonds (distance) C4'-P energy: -4.862 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -6.652 flat angles P-C4'-P energy: -4.792 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: 3, replica: 8 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -35.589652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.589652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.589652 (E_RNA) where: Base-Base interactions energy: -10.931 where: short stacking energy: -10.931 Base-Backbone interact. energy: -0.002 local terms energy: -24.656877 where: bonds (distance) C4'-P energy: -4.697 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -7.116 flat angles P-C4'-P energy: -5.116 tors. eta vs tors. theta energy: -1.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -33.205954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.205954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.205954 (E_RNA) where: Base-Base interactions energy: -9.146 where: short stacking energy: -9.146 Base-Backbone interact. energy: -0.089 local terms energy: -23.971086 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.235 flat angles P-C4'-P energy: -2.793 tors. eta vs tors. theta energy: -1.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -34.249475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.249475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.249475 (E_RNA) where: Base-Base interactions energy: -8.720 where: short stacking energy: -8.720 Base-Backbone interact. energy: -0.002 local terms energy: -25.527046 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -3.721 flat angles P-C4'-P energy: -5.530 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: 9 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -33.354971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.354971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.354971 (E_RNA) where: Base-Base interactions energy: -8.722 where: short stacking energy: -6.933 Base-Backbone interact. energy: -0.064 local terms energy: -24.568445 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -5.500 flat angles P-C4'-P energy: -4.694 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: 7, replica: 3 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -31.766862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.766862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.766862 (E_RNA) where: Base-Base interactions energy: -7.698 where: short stacking energy: -7.698 Base-Backbone interact. energy: -0.009 local terms energy: -24.059445 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -6.659 flat angles P-C4'-P energy: -4.414 tors. eta vs tors. theta energy: 1.123 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: 1 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -29.596149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.596149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.596149 (E_RNA) where: Base-Base interactions energy: -7.029 where: short stacking energy: -7.029 Base-Backbone interact. energy: -0.030 local terms energy: -22.536955 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -5.861 flat angles P-C4'-P energy: -2.872 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: 9, replica: 6 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -34.474170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.474170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.474170 (E_RNA) where: Base-Base interactions energy: -11.433 where: short stacking energy: -11.433 Base-Backbone interact. energy: -0.002 local terms energy: -23.040026 where: bonds (distance) C4'-P energy: -4.758 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -6.409 flat angles P-C4'-P energy: -4.207 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: 10, replica: 10 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -28.205440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.205440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.205440 (E_RNA) where: Base-Base interactions energy: -10.350 where: short stacking energy: -10.350 Base-Backbone interact. energy: -0.070 local terms energy: -17.785452 where: bonds (distance) C4'-P energy: -6.125 bonds (distance) P-C4' energy: -4.793 flat angles C4'-P-C4' energy: -4.870 flat angles P-C4'-P energy: 0.543 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: 1, replica: 7 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -42.171829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.171829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.171829 (E_RNA) where: Base-Base interactions energy: -15.301 where: short stacking energy: -15.301 Base-Backbone interact. energy: -0.004 local terms energy: -26.866954 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -7.227 flat angles P-C4'-P energy: -3.551 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: 8 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -40.460730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.460730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.460730 (E_RNA) where: Base-Base interactions energy: -13.888 where: short stacking energy: -13.888 Base-Backbone interact. energy: -0.006 local terms energy: -26.567026 where: bonds (distance) C4'-P energy: -6.043 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.589 flat angles P-C4'-P energy: -3.843 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: 3, replica: 2 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -33.886050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.886050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.886050 (E_RNA) where: Base-Base interactions energy: -12.332 where: short stacking energy: -12.332 Base-Backbone interact. energy: -0.039 local terms energy: -21.515589 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -3.485 flat angles P-C4'-P energy: -5.130 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: 4, replica: 5 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -36.943648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.943648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.943648 (E_RNA) where: Base-Base interactions energy: -11.649 where: short stacking energy: -11.649 Base-Backbone interact. energy: -0.007 local terms energy: -25.287725 where: bonds (distance) C4'-P energy: -5.558 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.094 flat angles P-C4'-P energy: -3.952 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: 5, replica: 4 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -31.571773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.571773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.571773 (E_RNA) where: Base-Base interactions energy: -8.950 where: short stacking energy: -8.950 Base-Backbone interact. energy: -0.015 local terms energy: -22.606976 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -5.637 flat angles P-C4'-P energy: -4.301 tors. eta vs tors. theta energy: 0.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -37.308399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.308399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.308399 (E_RNA) where: Base-Base interactions energy: -8.106 where: short stacking energy: -8.106 Base-Backbone interact. energy: -0.000 local terms energy: -29.202355 where: bonds (distance) C4'-P energy: -4.990 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.617 flat angles P-C4'-P energy: -6.062 tors. eta vs tors. theta energy: -3.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -33.032198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.032198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.032198 (E_RNA) where: Base-Base interactions energy: -4.506 where: short stacking energy: -4.506 Base-Backbone interact. energy: -0.098 local terms energy: -28.427583 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.851 flat angles P-C4'-P energy: -3.594 tors. eta vs tors. theta energy: -3.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -30.447908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.447908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.447908 (E_RNA) where: Base-Base interactions energy: -7.984 where: short stacking energy: -7.984 Base-Backbone interact. energy: -0.020 local terms energy: -22.443635 where: bonds (distance) C4'-P energy: -4.253 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.001 flat angles P-C4'-P energy: -2.918 tors. eta vs tors. theta energy: -0.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -31.255204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.255204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.255204 (E_RNA) where: Base-Base interactions energy: -7.025 where: short stacking energy: -7.025 Base-Backbone interact. energy: -0.001 local terms energy: -24.229369 where: bonds (distance) C4'-P energy: -3.642 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.888 flat angles P-C4'-P energy: -5.219 tors. eta vs tors. theta energy: -1.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -29.856226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.856226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.856226 (E_RNA) where: Base-Base interactions energy: -11.917 where: short stacking energy: -11.917 Base-Backbone interact. energy: 0.630 local terms energy: -18.569672 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -2.642 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: -1.374 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: 1, replica: 8 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -38.865119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.865119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.865119 (E_RNA) where: Base-Base interactions energy: -10.136 where: short stacking energy: -9.068 Base-Backbone interact. energy: -0.000 local terms energy: -28.728689 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -7.441 flat angles P-C4'-P energy: -3.063 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: 2, replica: 7 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -37.208714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.208714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.208714 (E_RNA) where: Base-Base interactions energy: -11.706 where: short stacking energy: -11.706 Base-Backbone interact. energy: -0.000 local terms energy: -25.502737 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -7.150 flat angles P-C4'-P energy: -4.477 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: 3, replica: 5 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -34.039636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.039636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.039636 (E_RNA) where: Base-Base interactions energy: -9.998 where: short stacking energy: -9.998 Base-Backbone interact. energy: -0.071 local terms energy: -23.970046 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -6.211 flat angles P-C4'-P energy: -4.326 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: 4, replica: 2 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -36.226806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.226806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.226806 (E_RNA) where: Base-Base interactions energy: -11.240 where: short stacking energy: -11.240 Base-Backbone interact. energy: -0.001 local terms energy: -24.985613 where: bonds (distance) C4'-P energy: -5.102 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -5.000 flat angles P-C4'-P energy: -5.559 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: 5, replica: 3 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -33.479911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.479911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.479911 (E_RNA) where: Base-Base interactions energy: -8.217 where: short stacking energy: -8.217 Base-Backbone interact. energy: -1.088 local terms energy: -24.175308 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -4.864 flat angles P-C4'-P energy: -5.338 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: 6, replica: 4 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -34.412875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.412875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.412875 (E_RNA) where: Base-Base interactions energy: -8.718 where: short stacking energy: -7.721 Base-Backbone interact. energy: -0.094 local terms energy: -25.600737 where: bonds (distance) C4'-P energy: -4.813 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -5.526 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: 7, replica: 6 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -31.975176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.975176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.975176 (E_RNA) where: Base-Base interactions energy: -9.987 where: short stacking energy: -9.987 Base-Backbone interact. energy: -0.009 local terms energy: -21.979196 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.562 flat angles P-C4'-P energy: -4.520 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: 8, replica: 9 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -31.887895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.887895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.887895 (E_RNA) where: Base-Base interactions energy: -9.157 where: short stacking energy: -9.157 Base-Backbone interact. energy: -0.090 local terms energy: -22.640501 where: bonds (distance) C4'-P energy: -3.587 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -4.890 flat angles P-C4'-P energy: -4.453 tors. eta vs tors. theta energy: -3.222 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: 10 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -30.090890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.090890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.090890 (E_RNA) where: Base-Base interactions energy: -6.714 where: short stacking energy: -6.714 Base-Backbone interact. energy: -0.018 local terms energy: -23.358825 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -4.812 flat angles P-C4'-P energy: -4.230 tors. eta vs tors. theta energy: -0.077 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: 1 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -26.208502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.208502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.208502 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -26.201878 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -5.474 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: 1, replica: 8 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -41.542757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.542757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.542757 (E_RNA) where: Base-Base interactions energy: -15.047 where: short stacking energy: -15.047 Base-Backbone interact. energy: -0.002 local terms energy: -26.493858 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -5.686 flat angles P-C4'-P energy: -5.238 tors. eta vs tors. theta energy: -3.319 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: 7 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -36.519776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.519776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.519776 (E_RNA) where: Base-Base interactions energy: -9.908 where: short stacking energy: -9.908 Base-Backbone interact. energy: -0.035 local terms energy: -26.575966 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -6.461 flat angles C4'-P-C4' energy: -5.928 flat angles P-C4'-P energy: -3.035 tors. eta vs tors. theta energy: -5.391 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: 5 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -33.638246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.638246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.638246 (E_RNA) where: Base-Base interactions energy: -7.434 where: short stacking energy: -7.434 Base-Backbone interact. energy: -0.184 local terms energy: -26.020230 where: bonds (distance) C4'-P energy: -4.449 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -5.811 flat angles P-C4'-P energy: -4.666 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: 4, replica: 2 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -32.950746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.950746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.950746 (E_RNA) where: Base-Base interactions energy: -8.461 where: short stacking energy: -8.461 Base-Backbone interact. energy: -0.042 local terms energy: -24.447382 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.336 flat angles P-C4'-P energy: -2.776 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: 5, replica: 3 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -32.339244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.339244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.339244 (E_RNA) where: Base-Base interactions energy: -11.212 where: short stacking energy: -11.212 Base-Backbone interact. energy: -0.105 local terms energy: -21.021500 where: bonds (distance) C4'-P energy: -3.832 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -6.266 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: -0.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -30.658581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.658581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.658581 (E_RNA) where: Base-Base interactions energy: -8.130 where: short stacking energy: -8.130 Base-Backbone interact. energy: -0.040 local terms energy: -22.488984 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: 0.300 flat angles P-C4'-P energy: -4.410 tors. eta vs tors. theta energy: -3.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -32.316693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.316693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.316693 (E_RNA) where: Base-Base interactions energy: -6.529 where: short stacking energy: -6.529 Base-Backbone interact. energy: -0.018 local terms energy: -25.770222 where: bonds (distance) C4'-P energy: -5.310 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -6.546 flat angles P-C4'-P energy: -3.124 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: 8, replica: 10 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -32.267333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.267333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.267333 (E_RNA) where: Base-Base interactions energy: -7.909 where: short stacking energy: -7.909 Base-Backbone interact. energy: -0.000 local terms energy: -24.357980 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -4.923 flat angles C4'-P-C4' energy: -5.507 flat angles P-C4'-P energy: -4.224 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: 9, replica: 9 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -30.268140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.268140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.268140 (E_RNA) where: Base-Base interactions energy: -10.880 where: short stacking energy: -10.880 Base-Backbone interact. energy: -0.001 local terms energy: -19.386888 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -5.226 flat angles P-C4'-P energy: -2.282 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: 10, replica: 1 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -29.272752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.272752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.272752 (E_RNA) where: Base-Base interactions energy: -4.112 where: short stacking energy: -4.112 Base-Backbone interact. energy: -0.091 local terms energy: -25.069565 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -5.792 flat angles P-C4'-P energy: -4.967 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: 318 Temperature: 0.900000 Total energy: -38.861828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.861828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.861828 (E_RNA) where: Base-Base interactions energy: -8.956 where: short stacking energy: -8.956 Base-Backbone interact. energy: -0.010 local terms energy: -29.895947 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -7.111 flat angles P-C4'-P energy: -4.642 tors. eta vs tors. theta energy: -4.096 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: 8 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -38.831894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.831894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.831894 (E_RNA) where: Base-Base interactions energy: -14.445 where: short stacking energy: -14.445 Base-Backbone interact. energy: -0.005 local terms energy: -24.381858 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -6.609 flat angles P-C4'-P energy: -3.210 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: 2 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -35.433292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.433292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.433292 (E_RNA) where: Base-Base interactions energy: -9.036 where: short stacking energy: -9.036 Base-Backbone interact. energy: -0.199 local terms energy: -26.198423 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.394 flat angles P-C4'-P energy: -4.388 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: 4, replica: 5 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -33.361207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.361207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.361207 (E_RNA) where: Base-Base interactions energy: -8.433 where: short stacking energy: -8.433 Base-Backbone interact. energy: 0.395 local terms energy: -25.323115 where: bonds (distance) C4'-P energy: -5.326 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -6.758 flat angles P-C4'-P energy: -4.241 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: 5, replica: 3 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -33.676480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.676480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.676480 (E_RNA) where: Base-Base interactions energy: -8.988 where: short stacking energy: -7.490 Base-Backbone interact. energy: -0.124 local terms energy: -24.563756 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -4.428 flat angles P-C4'-P energy: -5.627 tors. eta vs tors. theta energy: -0.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -34.893707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.893707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.893707 (E_RNA) where: Base-Base interactions energy: -9.881 where: short stacking energy: -9.881 Base-Backbone interact. energy: -0.610 local terms energy: -24.403016 where: bonds (distance) C4'-P energy: -4.560 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.601 flat angles P-C4'-P energy: -3.037 tors. eta vs tors. theta energy: -4.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -35.598308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.598308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.598308 (E_RNA) where: Base-Base interactions energy: -11.385 where: short stacking energy: -11.385 Base-Backbone interact. energy: -0.000 local terms energy: -24.213399 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -4.829 flat angles C4'-P-C4' energy: -5.518 flat angles P-C4'-P energy: -4.575 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: 8, replica: 4 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -32.567154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.567154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.567154 (E_RNA) where: Base-Base interactions energy: -9.679 where: short stacking energy: -9.679 Base-Backbone interact. energy: -0.003 local terms energy: -22.885070 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -6.654 flat angles C4'-P-C4' energy: -5.774 flat angles P-C4'-P energy: -2.991 tors. eta vs tors. theta energy: -1.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -30.416854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.416854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.416854 (E_RNA) where: Base-Base interactions energy: -8.072 where: short stacking energy: -8.072 Base-Backbone interact. energy: -0.070 local terms energy: -22.275391 where: bonds (distance) C4'-P energy: -5.603 bonds (distance) P-C4' energy: -6.056 flat angles C4'-P-C4' energy: -6.945 flat angles P-C4'-P energy: -2.502 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: 9 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -29.210215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.210215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.210215 (E_RNA) where: Base-Base interactions energy: -7.720 where: short stacking energy: -7.720 Base-Backbone interact. energy: -0.037 local terms energy: -21.453573 where: bonds (distance) C4'-P energy: -4.354 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -7.288 flat angles P-C4'-P energy: -2.454 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: 1, replica: 7 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -36.136071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.136071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.136071 (E_RNA) where: Base-Base interactions energy: -11.857 where: short stacking energy: -11.857 Base-Backbone interact. energy: -0.010 local terms energy: -24.269752 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.846 flat angles P-C4'-P energy: -4.265 tors. eta vs tors. theta energy: 0.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -32.760441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.760441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.760441 (E_RNA) where: Base-Base interactions energy: -10.948 where: short stacking energy: -10.948 Base-Backbone interact. energy: 0.258 local terms energy: -22.069903 where: bonds (distance) C4'-P energy: -4.688 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.740 flat angles P-C4'-P energy: -3.878 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: 3, replica: 8 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -35.639578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.639578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.639578 (E_RNA) where: Base-Base interactions energy: -11.653 where: short stacking energy: -11.653 Base-Backbone interact. energy: -0.190 local terms energy: -23.797077 where: bonds (distance) C4'-P energy: -5.451 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.565 flat angles P-C4'-P energy: -3.178 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: 4, replica: 5 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -39.048873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.048873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.048873 (E_RNA) where: Base-Base interactions energy: -11.310 where: short stacking energy: -11.310 Base-Backbone interact. energy: -0.000 local terms energy: -27.738093 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -5.058 flat angles C4'-P-C4' energy: -7.132 flat angles P-C4'-P energy: -3.803 tors. eta vs tors. theta energy: -5.690 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: 3 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -31.394896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.394896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.394896 (E_RNA) where: Base-Base interactions energy: -6.895 where: short stacking energy: -6.895 Base-Backbone interact. energy: -0.032 local terms energy: -24.468447 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -6.425 flat angles P-C4'-P energy: -2.782 tors. eta vs tors. theta energy: -3.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -29.731414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.731414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.731414 (E_RNA) where: Base-Base interactions energy: -7.238 where: short stacking energy: -7.238 Base-Backbone interact. energy: -0.048 local terms energy: -22.444740 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.480 flat angles P-C4'-P energy: -3.805 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: 7, replica: 6 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -32.957507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.957507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.957507 (E_RNA) where: Base-Base interactions energy: -8.099 where: short stacking energy: -8.099 Base-Backbone interact. energy: -0.100 local terms energy: -24.759248 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -5.939 flat angles P-C4'-P energy: -2.409 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: 8, replica: 1 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -34.180293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.180293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.180293 (E_RNA) where: Base-Base interactions energy: -7.583 where: short stacking energy: -7.583 Base-Backbone interact. energy: -0.055 local terms energy: -26.541958 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.848 flat angles P-C4'-P energy: -2.997 tors. eta vs tors. theta energy: -3.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -29.484079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.484079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.484079 (E_RNA) where: Base-Base interactions energy: -6.592 where: short stacking energy: -6.592 Base-Backbone interact. energy: -0.080 local terms energy: -22.812338 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -5.178 flat angles P-C4'-P energy: -3.525 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: 10, replica: 9 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -28.626803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.626803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.626803 (E_RNA) where: Base-Base interactions energy: -6.827 where: short stacking energy: -6.827 Base-Backbone interact. energy: -0.042 local terms energy: -21.757750 where: bonds (distance) C4'-P energy: -5.314 bonds (distance) P-C4' energy: -5.994 flat angles C4'-P-C4' energy: -6.533 flat angles P-C4'-P energy: -3.788 tors. eta vs tors. theta energy: -0.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -38.800951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.800951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.800951 (E_RNA) where: Base-Base interactions energy: -14.595 where: short stacking energy: -14.595 Base-Backbone interact. energy: -0.103 local terms energy: -24.103350 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.322 flat angles P-C4'-P energy: -3.945 tors. eta vs tors. theta energy: -0.730 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: 7 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -33.577382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.577382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.577382 (E_RNA) where: Base-Base interactions energy: -10.743 where: short stacking energy: -10.743 Base-Backbone interact. energy: -0.129 local terms energy: -22.704820 where: bonds (distance) C4'-P energy: -6.179 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -6.290 flat angles P-C4'-P energy: -5.264 tors. eta vs tors. theta energy: 0.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -35.114889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.114889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.114889 (E_RNA) where: Base-Base interactions energy: -9.674 where: short stacking energy: -9.674 Base-Backbone interact. energy: -0.004 local terms energy: -25.437157 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.022 flat angles C4'-P-C4' energy: -3.532 flat angles P-C4'-P energy: -4.148 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: 8 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -38.940441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.940441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.940441 (E_RNA) where: Base-Base interactions energy: -14.912 where: short stacking energy: -13.859 Base-Backbone interact. energy: -0.037 local terms energy: -23.990918 where: bonds (distance) C4'-P energy: -5.164 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -4.727 flat angles P-C4'-P energy: -5.163 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: 5, replica: 10 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -31.051730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.051730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.051730 (E_RNA) where: Base-Base interactions energy: -4.604 where: short stacking energy: -4.954 Base-Backbone interact. energy: -0.000 local terms energy: -26.447223 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -5.765 flat angles C4'-P-C4' energy: -5.648 flat angles P-C4'-P energy: -4.189 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: 3 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -35.270102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.270102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.270102 (E_RNA) where: Base-Base interactions energy: -6.415 where: short stacking energy: -6.415 Base-Backbone interact. energy: -0.002 local terms energy: -28.853402 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.351 flat angles P-C4'-P energy: -4.768 tors. eta vs tors. theta energy: -5.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -36.274133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.274133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.274133 (E_RNA) where: Base-Base interactions energy: -9.381 where: short stacking energy: -9.381 Base-Backbone interact. energy: -0.100 local terms energy: -26.793140 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.399 flat angles P-C4'-P energy: -4.770 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: 8, replica: 6 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -34.563620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.563620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.563620 (E_RNA) where: Base-Base interactions energy: -9.872 where: short stacking energy: -9.906 Base-Backbone interact. energy: -0.001 local terms energy: -24.690688 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.573 flat angles C4'-P-C4' energy: -3.809 flat angles P-C4'-P energy: -3.976 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: 9, replica: 9 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -28.732665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.732665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.732665 (E_RNA) where: Base-Base interactions energy: -6.775 where: short stacking energy: -6.775 Base-Backbone interact. energy: -0.001 local terms energy: -21.957262 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.250 flat angles P-C4'-P energy: -1.022 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: 10, replica: 4 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -27.080561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.080561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.080561 (E_RNA) where: Base-Base interactions energy: -5.865 where: short stacking energy: -5.865 Base-Backbone interact. energy: -0.166 local terms energy: -21.048948 where: bonds (distance) C4'-P energy: -4.697 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -6.610 flat angles P-C4'-P energy: -1.384 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: 1, replica: 2 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -42.887979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.887979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.887979 (E_RNA) where: Base-Base interactions energy: -15.679 where: short stacking energy: -15.478 Base-Backbone interact. energy: -0.000 local terms energy: -27.208466 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.333 flat angles C4'-P-C4' energy: -6.761 flat angles P-C4'-P energy: -2.603 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: 5 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -37.945998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.945998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.945998 (E_RNA) where: Base-Base interactions energy: -11.385 where: short stacking energy: -10.695 Base-Backbone interact. energy: -0.842 local terms energy: -25.719261 where: bonds (distance) C4'-P energy: -6.067 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.178 flat angles P-C4'-P energy: -5.740 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: 3, replica: 7 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -34.566357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.566357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.566357 (E_RNA) where: Base-Base interactions energy: -10.127 where: short stacking energy: -10.127 Base-Backbone interact. energy: -0.070 local terms energy: -24.369057 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.565 flat angles P-C4'-P energy: -3.336 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: 4, replica: 8 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -41.064461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.064461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.064461 (E_RNA) where: Base-Base interactions energy: -10.428 where: short stacking energy: -10.428 Base-Backbone interact. energy: -0.000 local terms energy: -30.636563 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.670 flat angles P-C4'-P energy: -5.587 tors. eta vs tors. theta energy: -4.722 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: 5, replica: 10 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -31.857861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.857861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.857861 (E_RNA) where: Base-Base interactions energy: -7.317 where: short stacking energy: -7.317 Base-Backbone interact. energy: -0.002 local terms energy: -24.539277 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.495 flat angles P-C4'-P energy: -3.464 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: 1 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -33.752385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.752385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.752385 (E_RNA) where: Base-Base interactions energy: -9.348 where: short stacking energy: -8.436 Base-Backbone interact. energy: -0.005 local terms energy: -24.400004 where: bonds (distance) C4'-P energy: -4.813 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -5.579 flat angles P-C4'-P energy: -5.552 tors. eta vs tors. theta energy: -2.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -32.194976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.194976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.194976 (E_RNA) where: Base-Base interactions energy: -9.079 where: short stacking energy: -9.079 Base-Backbone interact. energy: -0.068 local terms energy: -23.047623 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -2.837 flat angles P-C4'-P energy: -3.685 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: 8, replica: 9 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -32.111796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.111796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.111796 (E_RNA) where: Base-Base interactions energy: -6.539 where: short stacking energy: -6.539 Base-Backbone interact. energy: -0.002 local terms energy: -25.570356 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -5.407 flat angles P-C4'-P energy: -5.587 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: 9, replica: 6 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -28.834843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.834843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.834843 (E_RNA) where: Base-Base interactions energy: -3.217 where: short stacking energy: -3.217 Base-Backbone interact. energy: -0.008 local terms energy: -25.609821 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.624 flat angles P-C4'-P energy: -4.854 tors. eta vs tors. theta energy: 0.254 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: 4 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -28.787325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.787325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.787325 (E_RNA) where: Base-Base interactions energy: -9.891 where: short stacking energy: -9.891 Base-Backbone interact. energy: -0.151 local terms energy: -18.745070 where: bonds (distance) C4'-P energy: -4.726 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.167 flat angles P-C4'-P energy: -2.903 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: 1, replica: 5 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -36.164078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.164078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.164078 (E_RNA) where: Base-Base interactions energy: -10.469 where: short stacking energy: -10.469 Base-Backbone interact. energy: -0.031 local terms energy: -25.664630 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -7.311 flat angles P-C4'-P energy: -4.151 tors. eta vs tors. theta energy: -1.843 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: 2 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -37.188481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.188481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.188481 (E_RNA) where: Base-Base interactions energy: -9.511 where: short stacking energy: -9.511 Base-Backbone interact. energy: -0.067 local terms energy: -27.611035 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -7.373 flat angles P-C4'-P energy: -4.635 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: 322 Temperature: 1.000000 Total energy: -34.487287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.487287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.487287 (E_RNA) where: Base-Base interactions energy: -10.421 where: short stacking energy: -10.421 Base-Backbone interact. energy: -0.006 local terms energy: -24.059552 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -5.422 flat angles P-C4'-P energy: -3.178 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: 4, replica: 7 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -34.378638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.378638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.378638 (E_RNA) where: Base-Base interactions energy: -8.534 where: short stacking energy: -8.534 Base-Backbone interact. energy: -0.000 local terms energy: -25.844800 where: bonds (distance) C4'-P energy: -5.533 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.030 flat angles P-C4'-P energy: -4.450 tors. eta vs tors. theta energy: -2.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -32.917524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.917524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.917524 (E_RNA) where: Base-Base interactions energy: -10.707 where: short stacking energy: -10.707 Base-Backbone interact. energy: -0.002 local terms energy: -22.208932 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.846 flat angles P-C4'-P energy: -0.642 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: 6, replica: 10 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -28.473607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.473607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.473607 (E_RNA) where: Base-Base interactions energy: -8.531 where: short stacking energy: -7.013 Base-Backbone interact. energy: -0.403 local terms energy: -19.539459 where: bonds (distance) C4'-P energy: -2.284 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -6.150 flat angles P-C4'-P energy: -4.700 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: 322 Temperature: 1.200000 Total energy: -29.024039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.024039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.024039 (E_RNA) where: Base-Base interactions energy: -4.880 where: short stacking energy: -4.880 Base-Backbone interact. energy: -0.044 local terms energy: -24.100680 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -6.772 flat angles P-C4'-P energy: -4.124 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: 8, replica: 3 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -35.882921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.882921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.882921 (E_RNA) where: Base-Base interactions energy: -14.105 where: short stacking energy: -14.105 Base-Backbone interact. energy: -0.038 local terms energy: -21.740027 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -3.730 flat angles C4'-P-C4' energy: -3.696 flat angles P-C4'-P energy: -3.153 tors. eta vs tors. theta energy: -4.362 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: 322 Temperature: 1.300000 Total energy: -30.067464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.067464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.067464 (E_RNA) where: Base-Base interactions energy: -7.072 where: short stacking energy: -5.612 Base-Backbone interact. energy: -0.006 local terms energy: -22.989973 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -4.675 flat angles C4'-P-C4' energy: -5.766 flat angles P-C4'-P energy: -4.989 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: 6 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -26.853535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.853535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.853535 (E_RNA) where: Base-Base interactions energy: -6.174 where: short stacking energy: -6.174 Base-Backbone interact. energy: -0.008 local terms energy: -20.671668 where: bonds (distance) C4'-P energy: -4.539 bonds (distance) P-C4' energy: -5.053 flat angles C4'-P-C4' energy: -6.163 flat angles P-C4'-P energy: -5.459 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: 1, replica: 5 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -39.345943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.345943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.345943 (E_RNA) where: Base-Base interactions energy: -14.496 where: short stacking energy: -14.496 Base-Backbone interact. energy: -0.107 local terms energy: -24.742720 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -6.425 flat angles P-C4'-P energy: -3.926 tors. eta vs tors. theta energy: -1.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -35.550452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.550452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.550452 (E_RNA) where: Base-Base interactions energy: -8.636 where: short stacking energy: -8.636 Base-Backbone interact. energy: -0.099 local terms energy: -26.815498 where: bonds (distance) C4'-P energy: -5.363 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.862 flat angles P-C4'-P energy: -4.127 tors. eta vs tors. theta energy: -3.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -38.605828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.605828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.605828 (E_RNA) where: Base-Base interactions energy: -11.189 where: short stacking energy: -11.189 Base-Backbone interact. energy: -0.013 local terms energy: -27.403798 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.415 flat angles P-C4'-P energy: -4.924 tors. eta vs tors. theta energy: -2.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -33.362561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.362561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.362561 (E_RNA) where: Base-Base interactions energy: -7.676 where: short stacking energy: -7.676 Base-Backbone interact. energy: -0.117 local terms energy: -25.569962 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -7.386 flat angles P-C4'-P energy: -2.267 tors. eta vs tors. theta energy: -4.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -38.416466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.416466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.416466 (E_RNA) where: Base-Base interactions energy: -13.419 where: short stacking energy: -12.593 Base-Backbone interact. energy: -0.001 local terms energy: -24.996571 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -6.238 flat angles P-C4'-P energy: -3.039 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: 9 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -35.290142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.290142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.290142 (E_RNA) where: Base-Base interactions energy: -13.818 where: short stacking energy: -13.818 Base-Backbone interact. energy: -0.000 local terms energy: -21.472076 where: bonds (distance) C4'-P energy: -4.067 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -3.962 flat angles P-C4'-P energy: -2.827 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: 7, replica: 10 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -30.611849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.611849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.611849 (E_RNA) where: Base-Base interactions energy: -9.488 where: short stacking energy: -8.007 Base-Backbone interact. energy: 1.323 local terms energy: -22.446505 where: bonds (distance) C4'-P energy: -5.235 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -6.338 flat angles P-C4'-P energy: 0.844 tors. eta vs tors. theta energy: -5.247 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: 8, replica: 4 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -30.252366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.252366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.252366 (E_RNA) where: Base-Base interactions energy: -3.574 where: short stacking energy: -3.574 Base-Backbone interact. energy: -0.064 local terms energy: -26.614971 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.936 flat angles P-C4'-P energy: -4.556 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: 9, replica: 3 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -33.127325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.127325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.127325 (E_RNA) where: Base-Base interactions energy: -6.675 where: short stacking energy: -6.675 Base-Backbone interact. energy: -0.096 local terms energy: -26.356182 where: bonds (distance) C4'-P energy: -6.159 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -7.381 flat angles P-C4'-P energy: -3.917 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: 10, replica: 6 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -31.051301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.051301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.051301 (E_RNA) where: Base-Base interactions energy: -7.737 where: short stacking energy: -7.737 Base-Backbone interact. energy: -0.742 local terms energy: -22.572449 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.858 flat angles P-C4'-P energy: -1.768 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: 8 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -40.702285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.702285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.702285 (E_RNA) where: Base-Base interactions energy: -13.661 where: short stacking energy: -13.661 Base-Backbone interact. energy: -0.002 local terms energy: -27.039080 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.643 flat angles P-C4'-P energy: -3.865 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: 2, replica: 5 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -41.466965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.466965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.466965 (E_RNA) where: Base-Base interactions energy: -14.079 where: short stacking energy: -14.079 Base-Backbone interact. energy: -0.007 local terms energy: -27.380981 where: bonds (distance) C4'-P energy: -4.804 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.363 flat angles P-C4'-P energy: -5.049 tors. eta vs tors. theta energy: -4.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -35.139285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.139285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.139285 (E_RNA) where: Base-Base interactions energy: -11.652 where: short stacking energy: -11.652 Base-Backbone interact. energy: -0.042 local terms energy: -23.444676 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -2.915 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: 4, replica: 2 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -39.551680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.551680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.551680 (E_RNA) where: Base-Base interactions energy: -12.177 where: short stacking energy: -12.022 Base-Backbone interact. energy: -0.267 local terms energy: -27.106812 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -6.430 tors. eta vs tors. theta energy: -0.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -32.118274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.118274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.118274 (E_RNA) where: Base-Base interactions energy: -6.739 where: short stacking energy: -6.739 Base-Backbone interact. energy: -0.156 local terms energy: -25.223645 where: bonds (distance) C4'-P energy: -6.001 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.373 flat angles P-C4'-P energy: -3.744 tors. eta vs tors. theta energy: -2.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -31.613180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.613180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.613180 (E_RNA) where: Base-Base interactions energy: -7.174 where: short stacking energy: -7.174 Base-Backbone interact. energy: -0.021 local terms energy: -24.418342 where: bonds (distance) C4'-P energy: -4.908 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.661 flat angles P-C4'-P energy: -4.391 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: 7, replica: 4 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -32.924930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.924930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.924930 (E_RNA) where: Base-Base interactions energy: -9.932 where: short stacking energy: -9.315 Base-Backbone interact. energy: -0.101 local terms energy: -22.892219 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -6.330 flat angles C4'-P-C4' energy: -5.314 flat angles P-C4'-P energy: -1.622 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: 8, replica: 10 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -34.592867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.592867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.592867 (E_RNA) where: Base-Base interactions energy: -12.505 where: short stacking energy: -12.505 Base-Backbone interact. energy: -0.005 local terms energy: -22.082978 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -4.703 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -2.001 tors. eta vs tors. theta energy: -3.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -34.421275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.421275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.421275 (E_RNA) where: Base-Base interactions energy: -7.723 where: short stacking energy: -7.723 Base-Backbone interact. energy: -0.100 local terms energy: -26.598862 where: bonds (distance) C4'-P energy: -5.227 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.546 flat angles P-C4'-P energy: -3.610 tors. eta vs tors. theta energy: -3.678 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: 3 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -29.828012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.828012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.828012 (E_RNA) where: Base-Base interactions energy: -3.116 where: short stacking energy: -3.116 Base-Backbone interact. energy: -0.021 local terms energy: -26.690874 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -4.891 flat angles P-C4'-P energy: -5.030 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: 1, replica: 8 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -40.884229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.884229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.884229 (E_RNA) where: Base-Base interactions energy: -14.747 where: short stacking energy: -14.747 Base-Backbone interact. energy: -0.028 local terms energy: -26.109104 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.939 flat angles P-C4'-P energy: -1.931 tors. eta vs tors. theta energy: -4.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -37.090167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.090167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.090167 (E_RNA) where: Base-Base interactions energy: -11.975 where: short stacking energy: -11.061 Base-Backbone interact. energy: -0.109 local terms energy: -25.005957 where: bonds (distance) C4'-P energy: -5.595 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -7.038 flat angles P-C4'-P energy: -0.899 tors. eta vs tors. theta energy: -4.620 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: 325 Temperature: 1.000000 Total energy: -35.351839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.351839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.351839 (E_RNA) where: Base-Base interactions energy: -7.620 where: short stacking energy: -7.620 Base-Backbone interact. energy: -0.012 local terms energy: -27.719020 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.655 flat angles P-C4'-P energy: -5.094 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: 4, replica: 9 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -33.715708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.715708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.715708 (E_RNA) where: Base-Base interactions energy: -11.740 where: short stacking energy: -11.740 Base-Backbone interact. energy: -0.013 local terms energy: -21.963008 where: bonds (distance) C4'-P energy: -6.353 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -4.356 flat angles P-C4'-P energy: -4.733 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: 5, replica: 2 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -37.915492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.915492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.915492 (E_RNA) where: Base-Base interactions energy: -10.665 where: short stacking energy: -10.665 Base-Backbone interact. energy: -0.000 local terms energy: -27.250424 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -6.821 flat angles P-C4'-P energy: -6.223 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: 6, replica: 4 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -32.566441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.566441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.566441 (E_RNA) where: Base-Base interactions energy: -8.377 where: short stacking energy: -8.377 Base-Backbone interact. energy: -0.004 local terms energy: -24.185736 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -6.222 flat angles C4'-P-C4' energy: -5.081 flat angles P-C4'-P energy: -5.167 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: 7, replica: 7 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -30.494223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.494223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.494223 (E_RNA) where: Base-Base interactions energy: -6.520 where: short stacking energy: -6.520 Base-Backbone interact. energy: -0.058 local terms energy: -23.916227 where: bonds (distance) C4'-P energy: -4.942 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -3.968 flat angles P-C4'-P energy: -5.379 tors. eta vs tors. theta energy: -2.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -29.235809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.235809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.235809 (E_RNA) where: Base-Base interactions energy: -3.494 where: short stacking energy: -3.494 Base-Backbone interact. energy: -0.000 local terms energy: -25.741374 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -4.479 flat angles P-C4'-P energy: -4.483 tors. eta vs tors. theta energy: -3.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -33.122822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.122822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.122822 (E_RNA) where: Base-Base interactions energy: -8.436 where: short stacking energy: -8.436 Base-Backbone interact. energy: 0.238 local terms energy: -24.924754 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -6.128 flat angles P-C4'-P energy: -4.040 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: 10, replica: 3 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -28.162335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.162335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.162335 (E_RNA) where: Base-Base interactions energy: -7.765 where: short stacking energy: -7.765 Base-Backbone interact. energy: -0.035 local terms energy: -20.362363 where: bonds (distance) C4'-P energy: -3.852 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -4.945 flat angles P-C4'-P energy: -5.017 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: 326 Temperature: 0.900000 Total energy: -36.310542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.310542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.310542 (E_RNA) where: Base-Base interactions energy: -10.239 where: short stacking energy: -10.239 Base-Backbone interact. energy: 0.671 local terms energy: -26.742305 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -5.281 flat angles P-C4'-P energy: -4.362 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: 2, replica: 8 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -34.475607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.475607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.475607 (E_RNA) where: Base-Base interactions energy: -7.011 where: short stacking energy: -7.011 Base-Backbone interact. energy: -0.737 local terms energy: -26.727012 where: bonds (distance) C4'-P energy: -6.580 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.240 flat angles P-C4'-P energy: -5.304 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: 3, replica: 9 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -37.176192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.176192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.176192 (E_RNA) where: Base-Base interactions energy: -11.462 where: short stacking energy: -11.462 Base-Backbone interact. energy: -0.148 local terms energy: -25.566259 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.849 flat angles P-C4'-P energy: -3.273 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: 4, replica: 5 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -38.167989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.167989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.167989 (E_RNA) where: Base-Base interactions energy: -9.559 where: short stacking energy: -9.321 Base-Backbone interact. energy: -1.181 local terms energy: -27.427607 where: bonds (distance) C4'-P energy: -5.542 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.045 flat angles P-C4'-P energy: -4.087 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: 5, replica: 4 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -33.392716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.392716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.392716 (E_RNA) where: Base-Base interactions energy: -7.069 where: short stacking energy: -7.069 Base-Backbone interact. energy: -0.002 local terms energy: -26.322362 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.739 flat angles P-C4'-P energy: -3.914 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: 6, replica: 2 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -33.016013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.016013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.016013 (E_RNA) where: Base-Base interactions energy: -6.257 where: short stacking energy: -6.238 Base-Backbone interact. energy: -1.700 local terms energy: -25.058901 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: -6.006 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: 7, replica: 6 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -33.065710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.065710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.065710 (E_RNA) where: Base-Base interactions energy: -8.605 where: short stacking energy: -8.605 Base-Backbone interact. energy: -0.049 local terms energy: -24.412123 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.712 flat angles P-C4'-P energy: -5.759 tors. eta vs tors. theta energy: 0.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -32.845669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.845669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.845669 (E_RNA) where: Base-Base interactions energy: -9.890 where: short stacking energy: -9.498 Base-Backbone interact. energy: -0.001 local terms energy: -22.955158 where: bonds (distance) C4'-P energy: -4.829 bonds (distance) P-C4' energy: -5.505 flat angles C4'-P-C4' energy: -4.579 flat angles P-C4'-P energy: -3.582 tors. eta vs tors. theta energy: -4.461 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: 3 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -32.415694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.415694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.415694 (E_RNA) where: Base-Base interactions energy: -7.901 where: short stacking energy: -7.901 Base-Backbone interact. energy: -0.001 local terms energy: -24.513143 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.543 flat angles P-C4'-P energy: -3.207 tors. eta vs tors. theta energy: -1.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -26.808702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.808702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.808702 (E_RNA) where: Base-Base interactions energy: -7.467 where: short stacking energy: -7.467 Base-Backbone interact. energy: -0.002 local terms energy: -19.340289 where: bonds (distance) C4'-P energy: -3.326 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -5.810 flat angles P-C4'-P energy: -4.232 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: 1, replica: 1 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -37.693498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.693498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.693498 (E_RNA) where: Base-Base interactions energy: -10.912 where: short stacking energy: -10.912 Base-Backbone interact. energy: -0.063 local terms energy: -26.719160 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.562 flat angles P-C4'-P energy: -3.146 tors. eta vs tors. theta energy: -3.657 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: 2, replica: 9 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -41.603123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.603123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.603123 (E_RNA) where: Base-Base interactions energy: -15.267 where: short stacking energy: -15.267 Base-Backbone interact. energy: -0.009 local terms energy: -26.326397 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.743 flat angles P-C4'-P energy: -4.920 tors. eta vs tors. theta energy: -3.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -41.028996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.028996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.028996 (E_RNA) where: Base-Base interactions energy: -11.843 where: short stacking energy: -11.843 Base-Backbone interact. energy: -0.001 local terms energy: -29.185438 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.151 flat angles P-C4'-P energy: -4.599 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: 4, replica: 4 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -36.915773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.915773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.915773 (E_RNA) where: Base-Base interactions energy: -9.798 where: short stacking energy: -9.798 Base-Backbone interact. energy: -0.000 local terms energy: -27.117002 where: bonds (distance) C4'-P energy: -5.148 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -6.181 flat angles P-C4'-P energy: -5.507 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: 5, replica: 5 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -35.497440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.497440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.497440 (E_RNA) where: Base-Base interactions energy: -9.719 where: short stacking energy: -9.719 Base-Backbone interact. energy: -0.005 local terms energy: -25.773223 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -7.233 flat angles P-C4'-P energy: -2.623 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: 6, replica: 6 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -26.698190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.698190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.698190 (E_RNA) where: Base-Base interactions energy: -7.397 where: short stacking energy: -7.397 Base-Backbone interact. energy: -0.095 local terms energy: -19.205859 where: bonds (distance) C4'-P energy: -5.115 bonds (distance) P-C4' energy: -4.445 flat angles C4'-P-C4' energy: -6.024 flat angles P-C4'-P energy: -3.823 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: 7, replica: 2 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -30.925123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.925123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.925123 (E_RNA) where: Base-Base interactions energy: -6.390 where: short stacking energy: -6.390 Base-Backbone interact. energy: -0.001 local terms energy: -24.534109 where: bonds (distance) C4'-P energy: -4.749 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -5.704 flat angles P-C4'-P energy: -4.060 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: 8, replica: 3 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -33.383811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.383811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.383811 (E_RNA) where: Base-Base interactions energy: -9.595 where: short stacking energy: -9.595 Base-Backbone interact. energy: -0.066 local terms energy: -23.722457 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -7.783 flat angles P-C4'-P energy: -1.746 tors. eta vs tors. theta energy: -1.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -26.188631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.188631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.188631 (E_RNA) where: Base-Base interactions energy: -0.466 where: short stacking energy: 0.341 Base-Backbone interact. energy: -0.819 local terms energy: -24.903756 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -7.102 flat angles P-C4'-P energy: -5.636 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: 10, replica: 10 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -34.588987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.588987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.588987 (E_RNA) where: Base-Base interactions energy: -10.988 where: short stacking energy: -10.988 Base-Backbone interact. energy: -0.006 local terms energy: -23.594314 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -7.112 flat angles P-C4'-P energy: -3.527 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: 1, replica: 1 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -43.543475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.543475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.543475 (E_RNA) where: Base-Base interactions energy: -15.232 where: short stacking energy: -15.232 Base-Backbone interact. energy: -0.089 local terms energy: -28.222506 where: bonds (distance) C4'-P energy: -5.156 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -6.847 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: -4.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -39.361018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.361018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.361018 (E_RNA) where: Base-Base interactions energy: -15.044 where: short stacking energy: -15.044 Base-Backbone interact. energy: -0.031 local terms energy: -24.285930 where: bonds (distance) C4'-P energy: -6.072 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -2.714 flat angles P-C4'-P energy: -4.969 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: 3, replica: 8 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -35.840321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.840321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.840321 (E_RNA) where: Base-Base interactions energy: -9.186 where: short stacking energy: -9.186 Base-Backbone interact. energy: -0.000 local terms energy: -26.654103 where: bonds (distance) C4'-P energy: -5.335 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -7.040 flat angles P-C4'-P energy: -4.810 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: 4, replica: 4 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -33.588919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.588919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.588919 (E_RNA) where: Base-Base interactions energy: -8.316 where: short stacking energy: -8.316 Base-Backbone interact. energy: -0.001 local terms energy: -25.272004 where: bonds (distance) C4'-P energy: -5.181 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.436 flat angles P-C4'-P energy: -6.299 tors. eta vs tors. theta energy: -0.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -31.277578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.277578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.277578 (E_RNA) where: Base-Base interactions energy: -6.222 where: short stacking energy: -6.222 Base-Backbone interact. energy: -0.001 local terms energy: -25.054792 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.927 flat angles P-C4'-P energy: -5.762 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: 6, replica: 5 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -31.023616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.023616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.023616 (E_RNA) where: Base-Base interactions energy: -7.032 where: short stacking energy: -7.032 Base-Backbone interact. energy: -0.166 local terms energy: -23.825933 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -5.028 flat angles C4'-P-C4' energy: -6.989 flat angles P-C4'-P energy: -5.618 tors. eta vs tors. theta energy: 0.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -33.149728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.149728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.149728 (E_RNA) where: Base-Base interactions energy: -9.231 where: short stacking energy: -9.231 Base-Backbone interact. energy: -0.090 local terms energy: -23.828660 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -2.626 flat angles P-C4'-P energy: -3.690 tors. eta vs tors. theta energy: -3.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -27.524801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.524801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.524801 (E_RNA) where: Base-Base interactions energy: -3.982 where: short stacking energy: -3.982 Base-Backbone interact. energy: -0.004 local terms energy: -23.538706 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.892 flat angles P-C4'-P energy: -3.691 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: 9, replica: 10 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -30.188364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.188364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.188364 (E_RNA) where: Base-Base interactions energy: -6.841 where: short stacking energy: -6.841 Base-Backbone interact. energy: -0.024 local terms energy: -23.323788 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.417 flat angles P-C4'-P energy: -3.725 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: 10, replica: 7 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -28.611053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.611053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.611053 (E_RNA) where: Base-Base interactions energy: -8.466 where: short stacking energy: -8.466 Base-Backbone interact. energy: -0.001 local terms energy: -20.144689 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -3.254 flat angles P-C4'-P energy: -2.152 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: 1, replica: 1 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -41.838189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.838189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.838189 (E_RNA) where: Base-Base interactions energy: -12.673 where: short stacking energy: -12.673 Base-Backbone interact. energy: -0.000 local terms energy: -29.165014 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -5.480 flat angles C4'-P-C4' energy: -6.844 flat angles P-C4'-P energy: -5.738 tors. eta vs tors. theta energy: -4.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -41.905161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.905161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.905161 (E_RNA) where: Base-Base interactions energy: -15.423 where: short stacking energy: -15.423 Base-Backbone interact. energy: -0.002 local terms energy: -26.480714 where: bonds (distance) C4'-P energy: -3.645 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.374 flat angles P-C4'-P energy: -4.379 tors. eta vs tors. theta energy: -4.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -35.952998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.952998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.952998 (E_RNA) where: Base-Base interactions energy: -12.409 where: short stacking energy: -12.409 Base-Backbone interact. energy: -0.081 local terms energy: -23.463616 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -5.529 flat angles C4'-P-C4' energy: -5.356 flat angles P-C4'-P energy: -5.546 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: 4, replica: 6 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -30.447110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.447110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.447110 (E_RNA) where: Base-Base interactions energy: -8.054 where: short stacking energy: -8.054 Base-Backbone interact. energy: -0.100 local terms energy: -22.293107 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.069 flat angles P-C4'-P energy: -4.062 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: 4 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -33.625399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.625399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.625399 (E_RNA) where: Base-Base interactions energy: -7.621 where: short stacking energy: -7.621 Base-Backbone interact. energy: -0.089 local terms energy: -25.915318 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -5.896 flat angles P-C4'-P energy: -4.069 tors. eta vs tors. theta energy: -1.756 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: 3 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -34.357837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.357837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.357837 (E_RNA) where: Base-Base interactions energy: -6.160 where: short stacking energy: -6.160 Base-Backbone interact. energy: -0.048 local terms energy: -28.150083 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.212 flat angles P-C4'-P energy: -5.873 tors. eta vs tors. theta energy: -2.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -29.396494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.396494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.396494 (E_RNA) where: Base-Base interactions energy: -6.604 where: short stacking energy: -6.604 Base-Backbone interact. energy: -0.000 local terms energy: -22.792121 where: bonds (distance) C4'-P energy: -4.982 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.314 flat angles P-C4'-P energy: -3.947 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: 8, replica: 10 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -27.332346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.332346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.332346 (E_RNA) where: Base-Base interactions energy: -5.570 where: short stacking energy: -5.570 Base-Backbone interact. energy: -0.173 local terms energy: -21.589363 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -4.094 flat angles P-C4'-P energy: -3.272 tors. eta vs tors. theta energy: 0.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -32.522877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.522877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.522877 (E_RNA) where: Base-Base interactions energy: -9.376 where: short stacking energy: -9.376 Base-Backbone interact. energy: -0.001 local terms energy: -23.146292 where: bonds (distance) C4'-P energy: -5.488 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.067 flat angles P-C4'-P energy: -3.629 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: 10, replica: 7 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -34.075977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.075977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.075977 (E_RNA) where: Base-Base interactions energy: -10.345 where: short stacking energy: -10.345 Base-Backbone interact. energy: -0.086 local terms energy: -23.644294 where: bonds (distance) C4'-P energy: -4.908 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -5.220 flat angles P-C4'-P energy: -3.392 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: 1, replica: 9 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -44.378582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.378582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.378582 (E_RNA) where: Base-Base interactions energy: -10.431 where: short stacking energy: -10.431 Base-Backbone interact. energy: -0.000 local terms energy: -33.947998 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -7.487 flat angles P-C4'-P energy: -6.272 tors. eta vs tors. theta energy: -6.042 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: 330 Temperature: 0.950000 Total energy: -34.075321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.075321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.075321 (E_RNA) where: Base-Base interactions energy: -8.043 where: short stacking energy: -8.043 Base-Backbone interact. energy: -0.029 local terms energy: -26.004086 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.430 flat angles P-C4'-P energy: -5.372 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: 3, replica: 8 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -39.271653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.271653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.271653 (E_RNA) where: Base-Base interactions energy: -11.477 where: short stacking energy: -11.477 Base-Backbone interact. energy: -0.016 local terms energy: -27.778347 where: bonds (distance) C4'-P energy: -6.482 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -7.171 flat angles P-C4'-P energy: -4.277 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: 6 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -35.045258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.045258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.045258 (E_RNA) where: Base-Base interactions energy: -8.120 where: short stacking energy: -8.120 Base-Backbone interact. energy: -0.000 local terms energy: -26.924476 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.460 flat angles P-C4'-P energy: -4.838 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: 5, replica: 3 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -32.984601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.984601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.984601 (E_RNA) where: Base-Base interactions energy: -8.007 where: short stacking energy: -8.007 Base-Backbone interact. energy: -0.040 local terms energy: -24.937800 where: bonds (distance) C4'-P energy: -6.481 bonds (distance) P-C4' energy: -4.234 flat angles C4'-P-C4' energy: -6.265 flat angles P-C4'-P energy: -4.999 tors. eta vs tors. theta energy: -2.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -32.595686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.595686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.595686 (E_RNA) where: Base-Base interactions energy: -8.624 where: short stacking energy: -8.624 Base-Backbone interact. energy: -0.052 local terms energy: -23.919952 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -4.111 flat angles P-C4'-P energy: -5.709 tors. eta vs tors. theta energy: -0.210 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: 10 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -35.036171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.036171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.036171 (E_RNA) where: Base-Base interactions energy: -9.568 where: short stacking energy: -9.568 Base-Backbone interact. energy: -0.001 local terms energy: -25.467268 where: bonds (distance) C4'-P energy: -4.731 bonds (distance) P-C4' energy: -6.501 flat angles C4'-P-C4' energy: -5.372 flat angles P-C4'-P energy: -5.357 tors. eta vs tors. theta energy: -3.507 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: 8, replica: 5 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -32.618317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.618317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.618317 (E_RNA) where: Base-Base interactions energy: -7.507 where: short stacking energy: -7.507 Base-Backbone interact. energy: -0.817 local terms energy: -24.293576 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -4.408 flat angles P-C4'-P energy: -1.653 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: 9, replica: 7 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -30.356881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.356881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.356881 (E_RNA) where: Base-Base interactions energy: -6.501 where: short stacking energy: -6.501 Base-Backbone interact. energy: -0.000 local terms energy: -23.855948 where: bonds (distance) C4'-P energy: -3.526 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.831 flat angles P-C4'-P energy: -3.395 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: 10, replica: 2 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -29.416693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.416693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.416693 (E_RNA) where: Base-Base interactions energy: -3.217 where: short stacking energy: -3.217 Base-Backbone interact. energy: 0.350 local terms energy: -26.549399 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.512 flat angles P-C4'-P energy: -4.746 tors. eta vs tors. theta energy: -2.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -45.334520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.334520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.334520 (E_RNA) where: Base-Base interactions energy: -14.264 where: short stacking energy: -14.264 Base-Backbone interact. energy: -0.000 local terms energy: -31.070417 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -5.842 flat angles C4'-P-C4' energy: -5.727 flat angles P-C4'-P energy: -6.240 tors. eta vs tors. theta energy: -6.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -38.013629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.013629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.013629 (E_RNA) where: Base-Base interactions energy: -10.993 where: short stacking energy: -10.993 Base-Backbone interact. energy: -0.117 local terms energy: -26.904208 where: bonds (distance) C4'-P energy: -6.660 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.922 flat angles P-C4'-P energy: -5.870 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: 3, replica: 1 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -39.678808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.678808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.678808 (E_RNA) where: Base-Base interactions energy: -10.990 where: short stacking energy: -10.990 Base-Backbone interact. energy: -0.001 local terms energy: -28.687830 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -7.189 flat angles P-C4'-P energy: -3.135 tors. eta vs tors. theta energy: -5.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -32.980712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.980712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.980712 (E_RNA) where: Base-Base interactions energy: -7.391 where: short stacking energy: -7.391 Base-Backbone interact. energy: -0.021 local terms energy: -25.569274 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.506 flat angles P-C4'-P energy: -5.644 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: 5, replica: 6 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -34.516145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.516145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.516145 (E_RNA) where: Base-Base interactions energy: -9.508 where: short stacking energy: -9.508 Base-Backbone interact. energy: -0.128 local terms energy: -24.880827 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.903 flat angles P-C4'-P energy: -4.443 tors. eta vs tors. theta energy: -2.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -30.535832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.535832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.535832 (E_RNA) where: Base-Base interactions energy: -3.830 where: short stacking energy: -3.830 Base-Backbone interact. energy: -0.013 local terms energy: -26.692880 where: bonds (distance) C4'-P energy: -5.718 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.212 flat angles P-C4'-P energy: -5.036 tors. eta vs tors. theta energy: -3.614 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: 331 Temperature: 1.200000 Total energy: -30.570886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.570886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.570886 (E_RNA) where: Base-Base interactions energy: -7.460 where: short stacking energy: -7.460 Base-Backbone interact. energy: -0.180 local terms energy: -22.931190 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.932 flat angles P-C4'-P energy: -4.944 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: 8, replica: 7 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -32.952648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.952648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.952648 (E_RNA) where: Base-Base interactions energy: -9.573 where: short stacking energy: -9.573 Base-Backbone interact. energy: -0.010 local terms energy: -23.369437 where: bonds (distance) C4'-P energy: -5.363 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.172 flat angles P-C4'-P energy: -4.388 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: 9, replica: 5 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -27.724104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.724104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.724104 (E_RNA) where: Base-Base interactions energy: -7.323 where: short stacking energy: -7.323 Base-Backbone interact. energy: -0.002 local terms energy: -20.399147 where: bonds (distance) C4'-P energy: -1.882 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.196 flat angles P-C4'-P energy: -4.054 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: 10, replica: 2 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -34.131225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.131225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.131225 (E_RNA) where: Base-Base interactions energy: -11.490 where: short stacking energy: -11.490 Base-Backbone interact. energy: -0.002 local terms energy: -22.639266 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -4.566 flat angles C4'-P-C4' energy: -3.932 flat angles P-C4'-P energy: -2.861 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: 1, replica: 8 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -37.167905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.167905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.167905 (E_RNA) where: Base-Base interactions energy: -12.941 where: short stacking energy: -11.284 Base-Backbone interact. energy: -0.917 local terms energy: -23.310165 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.523 flat angles P-C4'-P energy: -3.736 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: 2, replica: 9 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -43.599762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.599762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.599762 (E_RNA) where: Base-Base interactions energy: -13.861 where: short stacking energy: -13.861 Base-Backbone interact. energy: -0.006 local terms energy: -29.732422 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.657 flat angles P-C4'-P energy: -4.492 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: 3, replica: 1 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -32.053843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.053843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.053843 (E_RNA) where: Base-Base interactions energy: -11.789 where: short stacking energy: -11.789 Base-Backbone interact. energy: -0.049 local terms energy: -20.215699 where: bonds (distance) C4'-P energy: -4.573 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -4.563 flat angles P-C4'-P energy: -5.387 tors. eta vs tors. theta energy: 1.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -39.842579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.842579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.842579 (E_RNA) where: Base-Base interactions energy: -11.426 where: short stacking energy: -11.426 Base-Backbone interact. energy: -0.090 local terms energy: -28.326331 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.975 flat angles P-C4'-P energy: -5.538 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: 5, replica: 10 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -33.005182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.005182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.005182 (E_RNA) where: Base-Base interactions energy: -8.043 where: short stacking energy: -8.043 Base-Backbone interact. energy: -0.003 local terms energy: -24.959803 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -3.385 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: 6, replica: 6 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -33.084445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.084445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.084445 (E_RNA) where: Base-Base interactions energy: -11.522 where: short stacking energy: -11.522 Base-Backbone interact. energy: -0.000 local terms energy: -21.561692 where: bonds (distance) C4'-P energy: -4.217 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.456 flat angles P-C4'-P energy: -4.629 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: 7, replica: 7 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -30.244148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.244148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.244148 (E_RNA) where: Base-Base interactions energy: -6.888 where: short stacking energy: -6.888 Base-Backbone interact. energy: -0.102 local terms energy: -23.254355 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.967 flat angles P-C4'-P energy: -4.746 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: 8, replica: 4 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -28.159538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.159538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.159538 (E_RNA) where: Base-Base interactions energy: -9.898 where: short stacking energy: -9.898 Base-Backbone interact. energy: -0.003 local terms energy: -18.258924 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -3.767 flat angles P-C4'-P energy: -3.971 tors. eta vs tors. theta energy: 1.052 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: 2 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -31.489001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.489001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.489001 (E_RNA) where: Base-Base interactions energy: -7.431 where: short stacking energy: -7.431 Base-Backbone interact. energy: -0.001 local terms energy: -24.056815 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.825 flat angles P-C4'-P energy: -4.244 tors. eta vs tors. theta energy: -0.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -27.962577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.962577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.962577 (E_RNA) where: Base-Base interactions energy: -7.818 where: short stacking energy: -7.818 Base-Backbone interact. energy: -0.404 local terms energy: -19.741247 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -4.019 flat angles C4'-P-C4' energy: -6.170 flat angles P-C4'-P energy: -5.090 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: 1, replica: 8 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -41.698533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.698533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.698533 (E_RNA) where: Base-Base interactions energy: -13.349 where: short stacking energy: -13.349 Base-Backbone interact. energy: -0.000 local terms energy: -28.349172 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -6.998 flat angles C4'-P-C4' energy: -4.510 flat angles P-C4'-P energy: -4.462 tors. eta vs tors. theta energy: -6.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -42.263775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.263775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.263775 (E_RNA) where: Base-Base interactions energy: -15.303 where: short stacking energy: -15.303 Base-Backbone interact. energy: -0.000 local terms energy: -26.960831 where: bonds (distance) C4'-P energy: -4.449 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -7.122 flat angles P-C4'-P energy: -3.639 tors. eta vs tors. theta energy: -3.720 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: 3, replica: 9 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -34.170509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.170509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.170509 (E_RNA) where: Base-Base interactions energy: -4.181 where: short stacking energy: -4.181 Base-Backbone interact. energy: -0.907 local terms energy: -29.082609 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.037 flat angles P-C4'-P energy: -4.870 tors. eta vs tors. theta energy: -3.293 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: 10 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -36.235573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.235573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.235573 (E_RNA) where: Base-Base interactions energy: -11.607 where: short stacking energy: -11.607 Base-Backbone interact. energy: -0.001 local terms energy: -24.627813 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -6.308 flat angles C4'-P-C4' energy: -6.900 flat angles P-C4'-P energy: -3.307 tors. eta vs tors. theta energy: -2.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -37.082806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.082806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.082806 (E_RNA) where: Base-Base interactions energy: -14.704 where: short stacking energy: -14.704 Base-Backbone interact. energy: -0.076 local terms energy: -22.302562 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -6.308 flat angles C4'-P-C4' energy: -6.690 flat angles P-C4'-P energy: -1.451 tors. eta vs tors. theta energy: -2.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -29.480523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.480523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.480523 (E_RNA) where: Base-Base interactions energy: -5.702 where: short stacking energy: -5.702 Base-Backbone interact. energy: -0.001 local terms energy: -23.777652 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.763 flat angles P-C4'-P energy: -3.167 tors. eta vs tors. theta energy: -0.563 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: 6 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -30.649407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.649407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.649407 (E_RNA) where: Base-Base interactions energy: -7.640 where: short stacking energy: -7.640 Base-Backbone interact. energy: -0.056 local terms energy: -22.952877 where: bonds (distance) C4'-P energy: -4.846 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.709 flat angles P-C4'-P energy: -4.784 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: 2 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -27.578013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.578013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.578013 (E_RNA) where: Base-Base interactions energy: -7.845 where: short stacking energy: -6.157 Base-Backbone interact. energy: -0.321 local terms energy: -19.412146 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.086 flat angles P-C4'-P energy: -1.344 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: 4 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -27.294858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.294858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.294858 (E_RNA) where: Base-Base interactions energy: -3.293 where: short stacking energy: -3.293 Base-Backbone interact. energy: -0.046 local terms energy: -23.956081 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -5.717 flat angles C4'-P-C4' energy: -5.167 flat angles P-C4'-P energy: -3.857 tors. eta vs tors. theta energy: -2.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -33.846649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.846649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.846649 (E_RNA) where: Base-Base interactions energy: -5.829 where: short stacking energy: -5.829 Base-Backbone interact. energy: -0.001 local terms energy: -28.016813 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.364 flat angles P-C4'-P energy: -5.129 tors. eta vs tors. theta energy: -2.996 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: 1, replica: 8 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -45.397695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.397695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.397695 (E_RNA) where: Base-Base interactions energy: -14.739 where: short stacking energy: -12.012 Base-Backbone interact. energy: -0.119 local terms energy: -30.539839 where: bonds (distance) C4'-P energy: -7.226 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.956 flat angles P-C4'-P energy: -5.440 tors. eta vs tors. theta energy: -3.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -35.775503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.775503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.775503 (E_RNA) where: Base-Base interactions energy: -7.887 where: short stacking energy: -7.887 Base-Backbone interact. energy: -0.002 local terms energy: -27.885996 where: bonds (distance) C4'-P energy: -4.858 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -7.484 flat angles P-C4'-P energy: -4.624 tors. eta vs tors. theta energy: -5.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -42.024878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.024878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.024878 (E_RNA) where: Base-Base interactions energy: -12.424 where: short stacking energy: -12.424 Base-Backbone interact. energy: -0.049 local terms energy: -29.551297 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -4.465 tors. eta vs tors. theta energy: -5.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -33.685830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.685830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.685830 (E_RNA) where: Base-Base interactions energy: -11.234 where: short stacking energy: -11.234 Base-Backbone interact. energy: -0.047 local terms energy: -22.404386 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.728 flat angles P-C4'-P energy: -3.514 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: 5, replica: 7 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -33.826573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.826573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.826573 (E_RNA) where: Base-Base interactions energy: -10.164 where: short stacking energy: -10.164 Base-Backbone interact. energy: -0.001 local terms energy: -23.662239 where: bonds (distance) C4'-P energy: -5.297 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -6.337 flat angles P-C4'-P energy: -3.111 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: 6, replica: 3 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -34.342969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.342969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.342969 (E_RNA) where: Base-Base interactions energy: -11.672 where: short stacking energy: -11.672 Base-Backbone interact. energy: -0.001 local terms energy: -22.670565 where: bonds (distance) C4'-P energy: -2.858 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -7.378 flat angles P-C4'-P energy: -4.584 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: 7, replica: 2 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -31.940206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.940206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.940206 (E_RNA) where: Base-Base interactions energy: -9.601 where: short stacking energy: -8.703 Base-Backbone interact. energy: -0.000 local terms energy: -22.338763 where: bonds (distance) C4'-P energy: -3.869 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.796 flat angles P-C4'-P energy: -1.604 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: 8, replica: 6 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -28.619579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.619579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.619579 (E_RNA) where: Base-Base interactions energy: -5.971 where: short stacking energy: -5.971 Base-Backbone interact. energy: -0.061 local terms energy: -22.587424 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.049 flat angles P-C4'-P energy: -2.808 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: 5 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -30.714528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.714528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.714528 (E_RNA) where: Base-Base interactions energy: -9.448 where: short stacking energy: -9.448 Base-Backbone interact. energy: -0.042 local terms energy: -21.223864 where: bonds (distance) C4'-P energy: -3.472 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -6.932 flat angles P-C4'-P energy: -5.374 tors. eta vs tors. theta energy: -0.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -26.459302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.459302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.459302 (E_RNA) where: Base-Base interactions energy: -6.083 where: short stacking energy: -6.083 Base-Backbone interact. energy: -0.008 local terms energy: -20.368200 where: bonds (distance) C4'-P energy: -3.951 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -5.362 flat angles P-C4'-P energy: -3.783 tors. eta vs tors. theta energy: -0.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -44.712269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.712269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.712269 (E_RNA) where: Base-Base interactions energy: -16.293 where: short stacking energy: -14.550 Base-Backbone interact. energy: -0.031 local terms energy: -28.387610 where: bonds (distance) C4'-P energy: -6.125 bonds (distance) P-C4' energy: -6.823 flat angles C4'-P-C4' energy: -5.840 flat angles P-C4'-P energy: -5.519 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: 2, replica: 10 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -34.836940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.836940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.836940 (E_RNA) where: Base-Base interactions energy: -8.558 where: short stacking energy: -8.558 Base-Backbone interact. energy: -0.034 local terms energy: -26.244628 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.564 flat angles P-C4'-P energy: -3.993 tors. eta vs tors. theta energy: -1.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -36.353238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.353238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.353238 (E_RNA) where: Base-Base interactions energy: -8.734 where: short stacking energy: -8.734 Base-Backbone interact. energy: -0.003 local terms energy: -27.616358 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.335 flat angles P-C4'-P energy: -5.882 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: 4, replica: 7 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -32.771373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.771373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.771373 (E_RNA) where: Base-Base interactions energy: -5.996 where: short stacking energy: -5.996 Base-Backbone interact. energy: -0.006 local terms energy: -26.769003 where: bonds (distance) C4'-P energy: -6.141 bonds (distance) P-C4' energy: -5.978 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -5.918 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: 5, replica: 9 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -33.478903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.478903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.478903 (E_RNA) where: Base-Base interactions energy: -7.914 where: short stacking energy: -7.914 Base-Backbone interact. energy: -0.000 local terms energy: -25.564410 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.428 flat angles P-C4'-P energy: -4.262 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: 6, replica: 3 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -34.015833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.015833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.015833 (E_RNA) where: Base-Base interactions energy: -9.746 where: short stacking energy: -7.328 Base-Backbone interact. energy: -0.197 local terms energy: -24.072538 where: bonds (distance) C4'-P energy: -5.181 bonds (distance) P-C4' energy: -6.777 flat angles C4'-P-C4' energy: -7.037 flat angles P-C4'-P energy: -6.170 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: 7, replica: 2 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -30.874455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.874455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.874455 (E_RNA) where: Base-Base interactions energy: -7.716 where: short stacking energy: -7.716 Base-Backbone interact. energy: -0.066 local terms energy: -23.093094 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.092 flat angles P-C4'-P energy: -3.063 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: 8, replica: 5 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -31.978096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.978096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.978096 (E_RNA) where: Base-Base interactions energy: -7.326 where: short stacking energy: -7.326 Base-Backbone interact. energy: -0.057 local terms energy: -24.595104 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.730 flat angles P-C4'-P energy: -4.688 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: 9, replica: 6 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -29.023891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.023891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.023891 (E_RNA) where: Base-Base interactions energy: -3.074 where: short stacking energy: -3.074 Base-Backbone interact. energy: -0.002 local terms energy: -25.948390 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -3.701 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: 10, replica: 4 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -27.845430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.845430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.845430 (E_RNA) where: Base-Base interactions energy: -0.950 where: short stacking energy: -0.950 Base-Backbone interact. energy: -0.002 local terms energy: -26.893610 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -6.138 flat angles P-C4'-P energy: -5.301 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: 1, replica: 10 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -39.972618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.972618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.972618 (E_RNA) where: Base-Base interactions energy: -13.696 where: short stacking energy: -13.696 Base-Backbone interact. energy: -0.004 local terms energy: -26.272586 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.290 flat angles P-C4'-P energy: -3.234 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: 2, replica: 8 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -35.415741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.415741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.415741 (E_RNA) where: Base-Base interactions energy: -8.256 where: short stacking energy: -8.256 Base-Backbone interact. energy: -0.000 local terms energy: -27.159473 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.864 flat angles P-C4'-P energy: -5.553 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: 3, replica: 7 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -37.910835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.910835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.910835 (E_RNA) where: Base-Base interactions energy: -10.039 where: short stacking energy: -10.039 Base-Backbone interact. energy: -0.011 local terms energy: -27.860698 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.647 flat angles P-C4'-P energy: -4.687 tors. eta vs tors. theta energy: -2.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -33.493105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.493105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.493105 (E_RNA) where: Base-Base interactions energy: -9.708 where: short stacking energy: -9.708 Base-Backbone interact. energy: -0.000 local terms energy: -23.785358 where: bonds (distance) C4'-P energy: -5.193 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.848 flat angles P-C4'-P energy: -2.421 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: 5, replica: 3 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -39.555021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.555021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.555021 (E_RNA) where: Base-Base interactions energy: -11.190 where: short stacking energy: -11.190 Base-Backbone interact. energy: -0.001 local terms energy: -28.364174 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.376 flat angles P-C4'-P energy: -5.915 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: 6, replica: 9 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -33.930692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.930692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.930692 (E_RNA) where: Base-Base interactions energy: -7.754 where: short stacking energy: -7.754 Base-Backbone interact. energy: -0.005 local terms energy: -26.171299 where: bonds (distance) C4'-P energy: -6.179 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.833 flat angles P-C4'-P energy: -5.344 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: 7, replica: 2 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -33.049419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.049419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.049419 (E_RNA) where: Base-Base interactions energy: -10.510 where: short stacking energy: -10.510 Base-Backbone interact. energy: -0.079 local terms energy: -22.460224 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -3.245 flat angles P-C4'-P energy: -4.754 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: 8, replica: 5 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -34.716963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.716963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.716963 (E_RNA) where: Base-Base interactions energy: -11.824 where: short stacking energy: -11.824 Base-Backbone interact. energy: -0.002 local terms energy: -22.890538 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -3.402 flat angles C4'-P-C4' energy: -5.587 flat angles P-C4'-P energy: -5.626 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: 4 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -25.644210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.644210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.644210 (E_RNA) where: Base-Base interactions energy: -6.678 where: short stacking energy: -6.678 Base-Backbone interact. energy: 0.064 local terms energy: -19.030055 where: bonds (distance) C4'-P energy: -3.700 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -4.914 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: 10, replica: 6 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -33.166959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.166959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.166959 (E_RNA) where: Base-Base interactions energy: -7.020 where: short stacking energy: -7.020 Base-Backbone interact. energy: -0.000 local terms energy: -26.146880 where: bonds (distance) C4'-P energy: -3.596 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -4.204 tors. eta vs tors. theta energy: -4.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -38.412971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.412971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.412971 (E_RNA) where: Base-Base interactions energy: -9.871 where: short stacking energy: -9.871 Base-Backbone interact. energy: -0.066 local terms energy: -28.476452 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.409 flat angles P-C4'-P energy: -5.897 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: 7 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -36.268595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.268595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.268595 (E_RNA) where: Base-Base interactions energy: -10.182 where: short stacking energy: -10.182 Base-Backbone interact. energy: -0.002 local terms energy: -26.084817 where: bonds (distance) C4'-P energy: -4.866 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -5.929 tors. eta vs tors. theta energy: -1.828 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: 8 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -30.800524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.800524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.800524 (E_RNA) where: Base-Base interactions energy: -7.223 where: short stacking energy: -7.223 Base-Backbone interact. energy: -0.005 local terms energy: -23.572291 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.581 flat angles P-C4'-P energy: -3.725 tors. eta vs tors. theta energy: -0.181 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: 3 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -37.951434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.951434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.951434 (E_RNA) where: Base-Base interactions energy: -11.762 where: short stacking energy: -11.762 Base-Backbone interact. energy: -0.001 local terms energy: -26.188577 where: bonds (distance) C4'-P energy: -4.932 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.394 flat angles P-C4'-P energy: -4.135 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: 5, replica: 1 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -34.459374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.459374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.459374 (E_RNA) where: Base-Base interactions energy: -11.687 where: short stacking energy: -11.687 Base-Backbone interact. energy: -0.087 local terms energy: -22.684579 where: bonds (distance) C4'-P energy: -3.943 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -7.374 flat angles P-C4'-P energy: -4.327 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: 6, replica: 2 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -33.662997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.662997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.662997 (E_RNA) where: Base-Base interactions energy: -9.826 where: short stacking energy: -9.826 Base-Backbone interact. energy: -0.001 local terms energy: -23.835324 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -4.212 flat angles C4'-P-C4' energy: -5.518 flat angles P-C4'-P energy: -4.604 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: 7, replica: 9 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -33.053947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.053947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.053947 (E_RNA) where: Base-Base interactions energy: -8.339 where: short stacking energy: -8.339 Base-Backbone interact. energy: -0.007 local terms energy: -24.707598 where: bonds (distance) C4'-P energy: -5.835 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.245 flat angles P-C4'-P energy: -3.652 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: 8, replica: 4 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -28.213902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.213902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.213902 (E_RNA) where: Base-Base interactions energy: -5.743 where: short stacking energy: -5.743 Base-Backbone interact. energy: -0.030 local terms energy: -22.440925 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -7.069 flat angles P-C4'-P energy: -3.703 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: 9, replica: 5 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -29.455372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.455372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.455372 (E_RNA) where: Base-Base interactions energy: -7.364 where: short stacking energy: -7.364 Base-Backbone interact. energy: -0.000 local terms energy: -22.091599 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.519 flat angles C4'-P-C4' energy: -4.060 flat angles P-C4'-P energy: -4.213 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: 6 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -28.877894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.877894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.877894 (E_RNA) where: Base-Base interactions energy: -3.023 where: short stacking energy: -3.023 Base-Backbone interact. energy: -0.030 local terms energy: -25.825337 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.831 flat angles P-C4'-P energy: -4.240 tors. eta vs tors. theta energy: -0.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -38.960086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.960086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.960086 (E_RNA) where: Base-Base interactions energy: -12.434 where: short stacking energy: -12.434 Base-Backbone interact. energy: -0.000 local terms energy: -26.525936 where: bonds (distance) C4'-P energy: -7.226 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -5.112 flat angles P-C4'-P energy: -3.485 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: 2, replica: 10 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -36.734782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.734782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.734782 (E_RNA) where: Base-Base interactions energy: -10.609 where: short stacking energy: -10.609 Base-Backbone interact. energy: -0.034 local terms energy: -26.092099 where: bonds (distance) C4'-P energy: -5.787 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -7.572 flat angles P-C4'-P energy: -3.701 tors. eta vs tors. theta energy: -1.262 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: 3 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -35.662343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.662343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.662343 (E_RNA) where: Base-Base interactions energy: -11.859 where: short stacking energy: -11.859 Base-Backbone interact. energy: -0.001 local terms energy: -23.801679 where: bonds (distance) C4'-P energy: -5.727 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.862 flat angles P-C4'-P energy: -4.322 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: 8 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -36.181281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.181281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.181281 (E_RNA) where: Base-Base interactions energy: -8.580 where: short stacking energy: -8.580 Base-Backbone interact. energy: -0.003 local terms energy: -27.598437 where: bonds (distance) C4'-P energy: -5.028 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.290 flat angles P-C4'-P energy: -4.905 tors. eta vs tors. theta energy: -3.351 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: 1 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -33.105127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.105127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.105127 (E_RNA) where: Base-Base interactions energy: -9.874 where: short stacking energy: -9.874 Base-Backbone interact. energy: -0.150 local terms energy: -23.081634 where: bonds (distance) C4'-P energy: -5.152 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -4.639 flat angles P-C4'-P energy: -6.423 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: 2 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -32.435570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.435570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.435570 (E_RNA) where: Base-Base interactions energy: -8.850 where: short stacking energy: -8.850 Base-Backbone interact. energy: -0.001 local terms energy: -23.584746 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.451 flat angles P-C4'-P energy: -4.728 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: 7, replica: 4 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -34.090969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.090969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.090969 (E_RNA) where: Base-Base interactions energy: -8.992 where: short stacking energy: -8.992 Base-Backbone interact. energy: -0.037 local terms energy: -25.062057 where: bonds (distance) C4'-P energy: -5.132 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -6.884 flat angles P-C4'-P energy: -5.611 tors. eta vs tors. theta energy: -0.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -31.162347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.162347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.162347 (E_RNA) where: Base-Base interactions energy: -9.947 where: short stacking energy: -9.947 Base-Backbone interact. energy: -0.085 local terms energy: -21.130590 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -3.723 flat angles P-C4'-P energy: -4.164 tors. eta vs tors. theta energy: -0.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -33.340623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.340623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.340623 (E_RNA) where: Base-Base interactions energy: -7.834 where: short stacking energy: -7.834 Base-Backbone interact. energy: -0.000 local terms energy: -25.506227 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -3.791 flat angles P-C4'-P energy: -2.238 tors. eta vs tors. theta energy: -4.936 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: 6 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -30.122682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.122682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.122682 (E_RNA) where: Base-Base interactions energy: -4.504 where: short stacking energy: -4.524 Base-Backbone interact. energy: -0.000 local terms energy: -25.618611 where: bonds (distance) C4'-P energy: -5.186 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -5.888 flat angles P-C4'-P energy: -3.264 tors. eta vs tors. theta energy: -3.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -36.514416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.514416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.514416 (E_RNA) where: Base-Base interactions energy: -9.284 where: short stacking energy: -9.284 Base-Backbone interact. energy: -0.006 local terms energy: -27.224128 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.253 flat angles C4'-P-C4' energy: -6.190 flat angles P-C4'-P energy: -4.769 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: 2, replica: 3 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -36.932712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.932712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.932712 (E_RNA) where: Base-Base interactions energy: -10.825 where: short stacking energy: -10.825 Base-Backbone interact. energy: -0.012 local terms energy: -26.095505 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -6.539 flat angles P-C4'-P energy: -3.151 tors. eta vs tors. theta energy: -2.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -33.409279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.409279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.409279 (E_RNA) where: Base-Base interactions energy: -11.340 where: short stacking energy: -11.340 Base-Backbone interact. energy: -0.044 local terms energy: -22.025881 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.612 flat angles P-C4'-P energy: -2.608 tors. eta vs tors. theta energy: -0.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -35.098833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.098833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.098833 (E_RNA) where: Base-Base interactions energy: -11.115 where: short stacking energy: -11.115 Base-Backbone interact. energy: -0.001 local terms energy: -23.982983 where: bonds (distance) C4'-P energy: -6.878 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.523 flat angles P-C4'-P energy: -2.175 tors. eta vs tors. theta energy: -1.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -36.006608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.006608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.006608 (E_RNA) where: Base-Base interactions energy: -8.261 where: short stacking energy: -8.261 Base-Backbone interact. energy: -0.000 local terms energy: -27.745765 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.890 flat angles P-C4'-P energy: -4.981 tors. eta vs tors. theta energy: -3.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -37.012594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.012594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.012594 (E_RNA) where: Base-Base interactions energy: -8.269 where: short stacking energy: -8.269 Base-Backbone interact. energy: -0.000 local terms energy: -28.743632 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -5.239 flat angles P-C4'-P energy: -4.458 tors. eta vs tors. theta energy: -5.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -37.942359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.942359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.942359 (E_RNA) where: Base-Base interactions energy: -10.040 where: short stacking energy: -6.581 Base-Backbone interact. energy: -0.000 local terms energy: -27.902268 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -4.195 flat angles P-C4'-P energy: -5.003 tors. eta vs tors. theta energy: -5.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -32.274699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.274699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.274699 (E_RNA) where: Base-Base interactions energy: -7.718 where: short stacking energy: -7.718 Base-Backbone interact. energy: -0.089 local terms energy: -24.466931 where: bonds (distance) C4'-P energy: -6.373 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.503 flat angles P-C4'-P energy: -5.228 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: 9, replica: 9 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -27.978022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.978022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.978022 (E_RNA) where: Base-Base interactions energy: -11.694 where: short stacking energy: -11.694 Base-Backbone interact. energy: -0.008 local terms energy: -16.276012 where: bonds (distance) C4'-P energy: -4.486 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -1.210 flat angles P-C4'-P energy: -5.430 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: 10, replica: 6 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -32.012663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.012663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.012663 (E_RNA) where: Base-Base interactions energy: -9.063 where: short stacking energy: -9.063 Base-Backbone interact. energy: -0.000 local terms energy: -22.949385 where: bonds (distance) C4'-P energy: -4.151 bonds (distance) P-C4' energy: -6.293 flat angles C4'-P-C4' energy: -4.915 flat angles P-C4'-P energy: -3.956 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: 7 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -36.770683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.770683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.770683 (E_RNA) where: Base-Base interactions energy: -12.909 where: short stacking energy: -12.909 Base-Backbone interact. energy: -0.001 local terms energy: -23.861025 where: bonds (distance) C4'-P energy: -3.286 bonds (distance) P-C4' energy: -5.974 flat angles C4'-P-C4' energy: -6.625 flat angles P-C4'-P energy: -4.672 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: 3 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -42.799153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.799153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.799153 (E_RNA) where: Base-Base interactions energy: -12.497 where: short stacking energy: -12.497 Base-Backbone interact. energy: -0.004 local terms energy: -30.298509 where: bonds (distance) C4'-P energy: -4.358 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.573 flat angles P-C4'-P energy: -6.385 tors. eta vs tors. theta energy: -6.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -40.314812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.314812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.314812 (E_RNA) where: Base-Base interactions energy: -9.111 where: short stacking energy: -9.111 Base-Backbone interact. energy: -0.000 local terms energy: -31.203427 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.547 flat angles P-C4'-P energy: -4.343 tors. eta vs tors. theta energy: -6.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -33.306384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.306384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.306384 (E_RNA) where: Base-Base interactions energy: -10.169 where: short stacking energy: -10.169 Base-Backbone interact. energy: -0.029 local terms energy: -23.108221 where: bonds (distance) C4'-P energy: -5.003 bonds (distance) P-C4' energy: -6.550 flat angles C4'-P-C4' energy: -6.852 flat angles P-C4'-P energy: -3.903 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: 5, replica: 4 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -36.496697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.496697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.496697 (E_RNA) where: Base-Base interactions energy: -11.697 where: short stacking energy: -11.697 Base-Backbone interact. energy: -0.000 local terms energy: -24.799872 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -4.328 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: 6, replica: 8 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -32.480864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.480864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.480864 (E_RNA) where: Base-Base interactions energy: -5.618 where: short stacking energy: -5.618 Base-Backbone interact. energy: -0.096 local terms energy: -26.766425 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -5.805 flat angles P-C4'-P energy: -6.083 tors. eta vs tors. theta energy: -1.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -27.392057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.392057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.392057 (E_RNA) where: Base-Base interactions energy: -4.412 where: short stacking energy: -4.412 Base-Backbone interact. energy: -0.005 local terms energy: -22.974564 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -5.768 flat angles C4'-P-C4' energy: -6.339 flat angles P-C4'-P energy: -5.325 tors. eta vs tors. theta energy: 1.196 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: 2 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -34.184492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.184492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.184492 (E_RNA) where: Base-Base interactions energy: -7.964 where: short stacking energy: -7.964 Base-Backbone interact. energy: -0.001 local terms energy: -26.219832 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -5.660 flat angles P-C4'-P energy: -5.565 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: 9, replica: 9 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -30.642422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.642422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.642422 (E_RNA) where: Base-Base interactions energy: -7.213 where: short stacking energy: -7.213 Base-Backbone interact. energy: -0.096 local terms energy: -23.333597 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -5.815 flat angles C4'-P-C4' energy: -6.182 flat angles P-C4'-P energy: -1.557 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: 6 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -28.949898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.949898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.949898 (E_RNA) where: Base-Base interactions energy: -5.119 where: short stacking energy: -5.119 Base-Backbone interact. energy: -0.006 local terms energy: -23.823950 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -4.914 flat angles P-C4'-P energy: -4.567 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: 1, replica: 7 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -43.871411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.871411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.871411 (E_RNA) where: Base-Base interactions energy: -14.214 where: short stacking energy: -14.214 Base-Backbone interact. energy: -0.001 local terms energy: -29.656096 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.049 flat angles P-C4'-P energy: -6.008 tors. eta vs tors. theta energy: -3.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -33.429939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.429939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.429939 (E_RNA) where: Base-Base interactions energy: -11.153 where: short stacking energy: -11.153 Base-Backbone interact. energy: -0.001 local terms energy: -22.275817 where: bonds (distance) C4'-P energy: -5.993 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.681 flat angles P-C4'-P energy: -4.719 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: 3 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -34.910449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.910449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.910449 (E_RNA) where: Base-Base interactions energy: -10.016 where: short stacking energy: -10.016 Base-Backbone interact. energy: -0.044 local terms energy: -24.850519 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.022 flat angles C4'-P-C4' energy: -4.942 flat angles P-C4'-P energy: -6.002 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: 4, replica: 4 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -33.296066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.296066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.296066 (E_RNA) where: Base-Base interactions energy: -10.121 where: short stacking energy: -10.121 Base-Backbone interact. energy: -0.093 local terms energy: -23.082013 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.743 flat angles P-C4'-P energy: -3.826 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: 5, replica: 10 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -32.979979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.979979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.979979 (E_RNA) where: Base-Base interactions energy: -6.560 where: short stacking energy: -6.560 Base-Backbone interact. energy: -0.075 local terms energy: -26.344375 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.439 flat angles P-C4'-P energy: -4.516 tors. eta vs tors. theta energy: -0.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -35.348654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.348654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.348654 (E_RNA) where: Base-Base interactions energy: -10.085 where: short stacking energy: -10.085 Base-Backbone interact. energy: -0.000 local terms energy: -25.263986 where: bonds (distance) C4'-P energy: -5.752 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.527 flat angles P-C4'-P energy: -4.087 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: 7, replica: 8 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -29.689261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.689261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.689261 (E_RNA) where: Base-Base interactions energy: -8.408 where: short stacking energy: -8.408 Base-Backbone interact. energy: -0.025 local terms energy: -21.255934 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -5.632 flat angles P-C4'-P energy: -3.942 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: 8, replica: 2 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -29.176742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.176742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.176742 (E_RNA) where: Base-Base interactions energy: -6.606 where: short stacking energy: -6.606 Base-Backbone interact. energy: -0.001 local terms energy: -22.570693 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -5.735 flat angles P-C4'-P energy: -4.596 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: 9, replica: 9 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -29.642681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.642681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.642681 (E_RNA) where: Base-Base interactions energy: -10.286 where: short stacking energy: -10.286 Base-Backbone interact. energy: -0.000 local terms energy: -19.356192 where: bonds (distance) C4'-P energy: -4.676 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -5.948 flat angles P-C4'-P energy: 0.108 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: 6 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -27.336135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.336135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.336135 (E_RNA) where: Base-Base interactions energy: -5.636 where: short stacking energy: -5.636 Base-Backbone interact. energy: -0.000 local terms energy: -21.699828 where: bonds (distance) C4'-P energy: -4.838 bonds (distance) P-C4' energy: -5.087 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -3.275 tors. eta vs tors. theta energy: -3.406 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: 1 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -42.866912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.866912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.866912 (E_RNA) where: Base-Base interactions energy: -14.085 where: short stacking energy: -14.085 Base-Backbone interact. energy: -0.046 local terms energy: -28.736014 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.820 flat angles P-C4'-P energy: -4.324 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: 2, replica: 7 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -38.121900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.121900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.121900 (E_RNA) where: Base-Base interactions energy: -11.659 where: short stacking energy: -11.179 Base-Backbone interact. energy: -0.017 local terms energy: -26.445485 where: bonds (distance) C4'-P energy: -4.785 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.312 flat angles P-C4'-P energy: -4.536 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: 3, replica: 4 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -37.583356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.583356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.583356 (E_RNA) where: Base-Base interactions energy: -10.897 where: short stacking energy: -10.897 Base-Backbone interact. energy: -0.032 local terms energy: -26.655074 where: bonds (distance) C4'-P energy: -4.162 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.537 flat angles P-C4'-P energy: -4.138 tors. eta vs tors. theta energy: -4.256 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: 3 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -33.594511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.594511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.594511 (E_RNA) where: Base-Base interactions energy: -11.043 where: short stacking energy: -11.043 Base-Backbone interact. energy: -0.002 local terms energy: -22.549154 where: bonds (distance) C4'-P energy: -5.619 bonds (distance) P-C4' energy: -6.731 flat angles C4'-P-C4' energy: -5.298 flat angles P-C4'-P energy: -4.704 tors. eta vs tors. theta energy: -0.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -38.027774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.027774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.027774 (E_RNA) where: Base-Base interactions energy: -12.749 where: short stacking energy: -12.749 Base-Backbone interact. energy: -0.000 local terms energy: -25.278536 where: bonds (distance) C4'-P energy: -5.451 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.359 flat angles P-C4'-P energy: -3.935 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: 6, replica: 10 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -35.236752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.236752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.236752 (E_RNA) where: Base-Base interactions energy: -10.551 where: short stacking energy: -10.551 Base-Backbone interact. energy: -0.099 local terms energy: -24.586397 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.836 flat angles P-C4'-P energy: -3.124 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: 7, replica: 2 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -33.473775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.473775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.473775 (E_RNA) where: Base-Base interactions energy: -8.482 where: short stacking energy: -8.482 Base-Backbone interact. energy: -0.391 local terms energy: -24.600666 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.790 flat angles P-C4'-P energy: -4.731 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: 8, replica: 8 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -28.968857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.968857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.968857 (E_RNA) where: Base-Base interactions energy: -9.951 where: short stacking energy: -9.951 Base-Backbone interact. energy: -0.001 local terms energy: -19.016957 where: bonds (distance) C4'-P energy: -4.589 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -6.372 flat angles P-C4'-P energy: -1.160 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: 9, replica: 9 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -28.663805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.663805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.663805 (E_RNA) where: Base-Base interactions energy: -9.976 where: short stacking energy: -9.976 Base-Backbone interact. energy: -0.001 local terms energy: -18.687514 where: bonds (distance) C4'-P energy: -4.208 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.606 flat angles P-C4'-P energy: -3.300 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: 10, replica: 6 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -27.175997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.175997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.175997 (E_RNA) where: Base-Base interactions energy: -5.856 where: short stacking energy: -5.856 Base-Backbone interact. energy: -0.028 local terms energy: -21.291352 where: bonds (distance) C4'-P energy: -5.173 bonds (distance) P-C4' energy: -3.989 flat angles C4'-P-C4' energy: -6.999 flat angles P-C4'-P energy: -4.706 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: 1, replica: 1 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -35.294387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.294387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.294387 (E_RNA) where: Base-Base interactions energy: -9.055 where: short stacking energy: -9.055 Base-Backbone interact. energy: -0.144 local terms energy: -26.095360 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -5.942 flat angles P-C4'-P energy: -5.739 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: 2, replica: 7 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -42.944779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.944779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.944779 (E_RNA) where: Base-Base interactions energy: -12.097 where: short stacking energy: -10.572 Base-Backbone interact. energy: -0.033 local terms energy: -30.814987 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.523 flat angles P-C4'-P energy: -5.447 tors. eta vs tors. theta energy: -4.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -38.409893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.409893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.409893 (E_RNA) where: Base-Base interactions energy: -10.796 where: short stacking energy: -10.796 Base-Backbone interact. energy: -0.014 local terms energy: -27.599687 where: bonds (distance) C4'-P energy: -5.209 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -7.553 flat angles P-C4'-P energy: -3.784 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: 4, replica: 5 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -32.338687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.338687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.338687 (E_RNA) where: Base-Base interactions energy: -9.609 where: short stacking energy: -9.609 Base-Backbone interact. energy: -0.030 local terms energy: -22.700288 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.055 flat angles C4'-P-C4' energy: -4.776 flat angles P-C4'-P energy: -3.884 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: 343 Temperature: 1.100000 Total energy: -37.067388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.067388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.067388 (E_RNA) where: Base-Base interactions energy: -11.680 where: short stacking energy: -11.680 Base-Backbone interact. energy: -0.001 local terms energy: -25.385551 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -4.446 tors. eta vs tors. theta energy: -3.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -32.113785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.113785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.113785 (E_RNA) where: Base-Base interactions energy: -9.706 where: short stacking energy: -9.706 Base-Backbone interact. energy: -0.101 local terms energy: -22.306660 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -4.480 flat angles P-C4'-P energy: -1.516 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: 7, replica: 10 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -32.903489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.903489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.903489 (E_RNA) where: Base-Base interactions energy: -10.929 where: short stacking energy: -10.929 Base-Backbone interact. energy: -0.012 local terms energy: -21.962696 where: bonds (distance) C4'-P energy: -3.149 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.737 flat angles P-C4'-P energy: -3.018 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: 8, replica: 9 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -30.455255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.455255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.455255 (E_RNA) where: Base-Base interactions energy: -9.394 where: short stacking energy: -9.394 Base-Backbone interact. energy: -0.020 local terms energy: -21.040671 where: bonds (distance) C4'-P energy: -4.684 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -3.425 flat angles P-C4'-P energy: -4.428 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: 9, replica: 8 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -30.155622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.155622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.155622 (E_RNA) where: Base-Base interactions energy: -9.892 where: short stacking energy: -9.892 Base-Backbone interact. energy: -0.040 local terms energy: -20.224136 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -3.738 flat angles P-C4'-P energy: -2.061 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: 10, replica: 6 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -28.316289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.316289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.316289 (E_RNA) where: Base-Base interactions energy: -6.339 where: short stacking energy: -6.339 Base-Backbone interact. energy: -0.000 local terms energy: -21.977401 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -5.656 flat angles P-C4'-P energy: -3.905 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: 1, replica: 7 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -41.282945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.282945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.282945 (E_RNA) where: Base-Base interactions energy: -13.736 where: short stacking energy: -13.736 Base-Backbone interact. energy: -0.000 local terms energy: -27.546500 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.212 flat angles P-C4'-P energy: -4.926 tors. eta vs tors. theta energy: -4.327 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: 344 Temperature: 0.950000 Total energy: -35.200456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.200456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.200456 (E_RNA) where: Base-Base interactions energy: -9.934 where: short stacking energy: -9.934 Base-Backbone interact. energy: -0.002 local terms energy: -25.263642 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.792 flat angles P-C4'-P energy: -2.737 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: 5 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -36.419205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.419205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.419205 (E_RNA) where: Base-Base interactions energy: -9.986 where: short stacking energy: -9.986 Base-Backbone interact. energy: -0.000 local terms energy: -26.433573 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.390 flat angles P-C4'-P energy: -4.820 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: 4, replica: 4 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -36.932294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.932294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.932294 (E_RNA) where: Base-Base interactions energy: -9.986 where: short stacking energy: -9.986 Base-Backbone interact. energy: -0.005 local terms energy: -26.941628 where: bonds (distance) C4'-P energy: -4.768 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -5.509 tors. eta vs tors. theta energy: -5.251 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: 5, replica: 2 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -37.497081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.497081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.497081 (E_RNA) where: Base-Base interactions energy: -11.171 where: short stacking energy: -11.171 Base-Backbone interact. energy: -0.002 local terms energy: -26.324171 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -5.324 flat angles P-C4'-P energy: -5.146 tors. eta vs tors. theta energy: -2.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -30.224859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.224859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.224859 (E_RNA) where: Base-Base interactions energy: -4.123 where: short stacking energy: -4.123 Base-Backbone interact. energy: -0.105 local terms energy: -25.997366 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.202 flat angles P-C4'-P energy: -4.440 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: 7, replica: 9 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -33.784394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.784394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.784394 (E_RNA) where: Base-Base interactions energy: -7.636 where: short stacking energy: -7.636 Base-Backbone interact. energy: -0.918 local terms energy: -25.230252 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.222 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -1.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -28.091010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.091010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.091010 (E_RNA) where: Base-Base interactions energy: -4.169 where: short stacking energy: -4.169 Base-Backbone interact. energy: -1.159 local terms energy: -22.763717 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.932 flat angles P-C4'-P energy: -2.647 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: 9, replica: 6 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -28.546530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.546530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.546530 (E_RNA) where: Base-Base interactions energy: -7.403 where: short stacking energy: -7.403 Base-Backbone interact. energy: -0.020 local terms energy: -21.123422 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -5.112 flat angles P-C4'-P energy: -3.607 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: 10, replica: 8 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -27.335840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.335840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.335840 (E_RNA) where: Base-Base interactions energy: -2.504 where: short stacking energy: -2.504 Base-Backbone interact. energy: -0.008 local terms energy: -24.823661 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.146 flat angles C4'-P-C4' energy: -6.088 flat angles P-C4'-P energy: -4.634 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: 7 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -43.536394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.536394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.536394 (E_RNA) where: Base-Base interactions energy: -14.826 where: short stacking energy: -14.826 Base-Backbone interact. energy: -0.016 local terms energy: -28.694917 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.372 flat angles P-C4'-P energy: -3.003 tors. eta vs tors. theta energy: -4.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -37.169336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.169336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.169336 (E_RNA) where: Base-Base interactions energy: -12.461 where: short stacking energy: -12.461 Base-Backbone interact. energy: -0.001 local terms energy: -24.708230 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -6.780 flat angles P-C4'-P energy: -3.489 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: 3, replica: 1 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -36.793071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.793071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.793071 (E_RNA) where: Base-Base interactions energy: -14.636 where: short stacking energy: -14.636 Base-Backbone interact. energy: -0.003 local terms energy: -22.153842 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -7.135 flat angles P-C4'-P energy: -2.899 tors. eta vs tors. theta energy: 0.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -34.783153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.783153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.783153 (E_RNA) where: Base-Base interactions energy: -7.588 where: short stacking energy: -7.588 Base-Backbone interact. energy: -0.042 local terms energy: -27.152563 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.994 flat angles P-C4'-P energy: -4.981 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: 4 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -35.076248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.076248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.076248 (E_RNA) where: Base-Base interactions energy: -12.827 where: short stacking energy: -12.827 Base-Backbone interact. energy: -0.147 local terms energy: -22.101868 where: bonds (distance) C4'-P energy: -4.681 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -3.097 flat angles P-C4'-P energy: -4.104 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: 6, replica: 9 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -29.427105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.427105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.427105 (E_RNA) where: Base-Base interactions energy: -6.406 where: short stacking energy: -6.406 Base-Backbone interact. energy: -0.090 local terms energy: -22.931005 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -5.547 flat angles P-C4'-P energy: -3.953 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: 7, replica: 3 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -36.420593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.420593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.420593 (E_RNA) where: Base-Base interactions energy: -10.984 where: short stacking energy: -10.984 Base-Backbone interact. energy: -0.002 local terms energy: -25.434893 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.234 flat angles P-C4'-P energy: -3.933 tors. eta vs tors. theta energy: -2.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -30.469449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.469449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.469449 (E_RNA) where: Base-Base interactions energy: -3.919 where: short stacking energy: -3.120 Base-Backbone interact. energy: -1.281 local terms energy: -25.269445 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.216 flat angles P-C4'-P energy: -4.546 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: 10 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -27.942634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.942634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.942634 (E_RNA) where: Base-Base interactions energy: -4.032 where: short stacking energy: -4.032 Base-Backbone interact. energy: -0.659 local terms energy: -23.251204 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.250 flat angles P-C4'-P energy: -2.119 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: 10, replica: 8 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -34.544343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.544343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.544343 (E_RNA) where: Base-Base interactions energy: -11.455 where: short stacking energy: -11.455 Base-Backbone interact. energy: -0.013 local terms energy: -23.076034 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -2.691 flat angles P-C4'-P energy: -4.697 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: 1, replica: 7 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -41.383251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.383251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.383251 (E_RNA) where: Base-Base interactions energy: -12.496 where: short stacking energy: -12.496 Base-Backbone interact. energy: -0.000 local terms energy: -28.886944 where: bonds (distance) C4'-P energy: -5.190 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -7.354 flat angles P-C4'-P energy: -5.428 tors. eta vs tors. theta energy: -4.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -38.129721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.129721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.129721 (E_RNA) where: Base-Base interactions energy: -9.219 where: short stacking energy: -9.219 Base-Backbone interact. energy: -0.016 local terms energy: -28.894488 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.587 flat angles P-C4'-P energy: -5.631 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: 3, replica: 2 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -34.704661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.704661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.704661 (E_RNA) where: Base-Base interactions energy: -11.608 where: short stacking energy: -12.208 Base-Backbone interact. energy: -1.056 local terms energy: -22.041025 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.110 flat angles P-C4'-P energy: -4.684 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: 4, replica: 1 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -38.322648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.322648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.322648 (E_RNA) where: Base-Base interactions energy: -7.696 where: short stacking energy: -7.696 Base-Backbone interact. energy: 0.208 local terms energy: -30.833838 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.533 flat angles P-C4'-P energy: -5.501 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: 5, replica: 9 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -33.360553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.360553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.360553 (E_RNA) where: Base-Base interactions energy: -11.705 where: short stacking energy: -11.705 Base-Backbone interact. energy: -1.090 local terms energy: -20.565457 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.722 flat angles P-C4'-P energy: -1.920 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: 4 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -33.600931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.600931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.600931 (E_RNA) where: Base-Base interactions energy: -8.100 where: short stacking energy: -8.100 Base-Backbone interact. energy: -0.066 local terms energy: -25.434653 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.905 flat angles P-C4'-P energy: -5.783 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: 7, replica: 6 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -26.663893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.663893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.663893 (E_RNA) where: Base-Base interactions energy: -7.788 where: short stacking energy: -3.638 Base-Backbone interact. energy: -0.088 local terms energy: -18.787433 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -3.168 flat angles P-C4'-P energy: -4.526 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: 3 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -28.351805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.351805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.351805 (E_RNA) where: Base-Base interactions energy: -7.102 where: short stacking energy: -7.102 Base-Backbone interact. energy: -0.069 local terms energy: -21.180274 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -2.709 flat angles P-C4'-P energy: -5.037 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: 9, replica: 8 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -29.576545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.576545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.576545 (E_RNA) where: Base-Base interactions energy: -4.806 where: short stacking energy: -4.806 Base-Backbone interact. energy: -0.019 local terms energy: -24.751717 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.599 flat angles P-C4'-P energy: -4.094 tors. eta vs tors. theta energy: -0.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -29.609663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.609663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.609663 (E_RNA) where: Base-Base interactions energy: -10.254 where: short stacking energy: -9.477 Base-Backbone interact. energy: -0.007 local terms energy: -19.349352 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -4.924 flat angles C4'-P-C4' energy: -4.083 flat angles P-C4'-P energy: -4.113 tors. eta vs tors. theta energy: -0.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -39.356891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.356891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.356891 (E_RNA) where: Base-Base interactions energy: -14.912 where: short stacking energy: -14.912 Base-Backbone interact. energy: -0.009 local terms energy: -24.435322 where: bonds (distance) C4'-P energy: -6.229 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.120 flat angles P-C4'-P energy: -3.497 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: 2, replica: 2 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -39.249398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.249398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.249398 (E_RNA) where: Base-Base interactions energy: -18.912 where: short stacking energy: -14.263 Base-Backbone interact. energy: -0.015 local terms energy: -20.322705 where: bonds (distance) C4'-P energy: -5.288 bonds (distance) P-C4' energy: -2.935 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -4.040 tors. eta vs tors. theta energy: -3.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -38.860761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.860761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.860761 (E_RNA) where: Base-Base interactions energy: -12.703 where: short stacking energy: -12.703 Base-Backbone interact. energy: -0.000 local terms energy: -26.158040 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: -4.430 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: 4, replica: 9 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -32.996576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.996576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.996576 (E_RNA) where: Base-Base interactions energy: -6.463 where: short stacking energy: -1.618 Base-Backbone interact. energy: -0.013 local terms energy: -26.521109 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.973 flat angles P-C4'-P energy: -4.500 tors. eta vs tors. theta energy: -1.653 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: 5, replica: 1 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -31.291684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.291684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.291684 (E_RNA) where: Base-Base interactions energy: -6.218 where: short stacking energy: -4.466 Base-Backbone interact. energy: -0.100 local terms energy: -24.973647 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -5.089 flat angles P-C4'-P energy: -4.674 tors. eta vs tors. theta energy: -2.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -32.789992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.789992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.789992 (E_RNA) where: Base-Base interactions energy: -12.518 where: short stacking energy: -12.518 Base-Backbone interact. energy: -0.002 local terms energy: -20.270780 where: bonds (distance) C4'-P energy: -1.472 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.163 flat angles P-C4'-P energy: -1.218 tors. eta vs tors. theta energy: -4.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -30.370152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.370152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.370152 (E_RNA) where: Base-Base interactions energy: -4.933 where: short stacking energy: -4.933 Base-Backbone interact. energy: -0.066 local terms energy: -25.370444 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -5.207 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: 8 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -26.129177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.129177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.129177 (E_RNA) where: Base-Base interactions energy: -3.444 where: short stacking energy: -3.444 Base-Backbone interact. energy: -0.103 local terms energy: -22.581716 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.102 flat angles P-C4'-P energy: -4.062 tors. eta vs tors. theta energy: -0.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -33.241027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.241027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.241027 (E_RNA) where: Base-Base interactions energy: -11.453 where: short stacking energy: -11.453 Base-Backbone interact. energy: -0.002 local terms energy: -21.785879 where: bonds (distance) C4'-P energy: -2.440 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.795 flat angles P-C4'-P energy: -4.506 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: 10, replica: 10 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -35.647517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.647517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.647517 (E_RNA) where: Base-Base interactions energy: -8.418 where: short stacking energy: -8.418 Base-Backbone interact. energy: -2.136 local terms energy: -25.094240 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -5.913 flat angles C4'-P-C4' energy: -5.824 flat angles P-C4'-P energy: -5.492 tors. eta vs tors. theta energy: -1.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -35.331028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.331028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.331028 (E_RNA) where: Base-Base interactions energy: -11.142 where: short stacking energy: -11.142 Base-Backbone interact. energy: -0.101 local terms energy: -24.088001 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.580 flat angles P-C4'-P energy: -4.270 tors. eta vs tors. theta energy: 0.473 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: 348 Temperature: 0.950000 Total energy: -40.037074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.037074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.037074 (E_RNA) where: Base-Base interactions energy: -14.356 where: short stacking energy: -14.356 Base-Backbone interact. energy: -0.001 local terms energy: -25.679810 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.699 flat angles P-C4'-P energy: -2.951 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: 3, replica: 5 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -39.009396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.009396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.009396 (E_RNA) where: Base-Base interactions energy: -12.394 where: short stacking energy: -12.394 Base-Backbone interact. energy: -0.000 local terms energy: -26.615791 where: bonds (distance) C4'-P energy: -6.816 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -5.277 flat angles P-C4'-P energy: -4.688 tors. eta vs tors. theta energy: -3.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -35.443015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.443015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.443015 (E_RNA) where: Base-Base interactions energy: -11.454 where: short stacking energy: -11.454 Base-Backbone interact. energy: -0.041 local terms energy: -23.947771 where: bonds (distance) C4'-P energy: -4.804 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.951 flat angles P-C4'-P energy: -2.610 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: 5, replica: 6 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -34.048879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.048879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.048879 (E_RNA) where: Base-Base interactions energy: -7.995 where: short stacking energy: -7.770 Base-Backbone interact. energy: -0.007 local terms energy: -26.046771 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.038 flat angles P-C4'-P energy: -3.609 tors. eta vs tors. theta energy: -1.170 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: 1 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -40.331620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.331620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.331620 (E_RNA) where: Base-Base interactions energy: -12.280 where: short stacking energy: -12.280 Base-Backbone interact. energy: -0.000 local terms energy: -28.051158 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -6.624 flat angles P-C4'-P energy: -4.039 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: 7, replica: 8 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -29.931763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.931763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.931763 (E_RNA) where: Base-Base interactions energy: -8.749 where: short stacking energy: -8.749 Base-Backbone interact. energy: -0.007 local terms energy: -21.175986 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -6.075 flat angles C4'-P-C4' energy: -7.011 flat angles P-C4'-P energy: -4.164 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: 8, replica: 4 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -32.598105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.598105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.598105 (E_RNA) where: Base-Base interactions energy: -7.494 where: short stacking energy: -7.494 Base-Backbone interact. energy: -0.003 local terms energy: -25.100969 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -6.158 flat angles P-C4'-P energy: -4.379 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: 9, replica: 10 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -26.707836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.707836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.707836 (E_RNA) where: Base-Base interactions energy: -3.950 where: short stacking energy: -3.950 Base-Backbone interact. energy: -0.145 local terms energy: -22.613522 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -5.399 flat angles P-C4'-P energy: -3.860 tors. eta vs tors. theta energy: 1.084 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: 3 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -27.310375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.310375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.310375 (E_RNA) where: Base-Base interactions energy: -7.676 where: short stacking energy: -7.676 Base-Backbone interact. energy: -0.022 local terms energy: -19.612630 where: bonds (distance) C4'-P energy: -6.580 bonds (distance) P-C4' energy: -6.326 flat angles C4'-P-C4' energy: -3.956 flat angles P-C4'-P energy: -5.293 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: 1, replica: 2 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -39.604154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.604154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.604154 (E_RNA) where: Base-Base interactions energy: -11.762 where: short stacking energy: -11.762 Base-Backbone interact. energy: -0.001 local terms energy: -27.841089 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.609 flat angles P-C4'-P energy: -4.929 tors. eta vs tors. theta energy: -3.042 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: 5 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -35.006123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.006123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.006123 (E_RNA) where: Base-Base interactions energy: -11.979 where: short stacking energy: -11.979 Base-Backbone interact. energy: -0.026 local terms energy: -23.001308 where: bonds (distance) C4'-P energy: -5.981 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.180 flat angles P-C4'-P energy: -3.050 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: 3, replica: 7 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -40.305557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.305557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.305557 (E_RNA) where: Base-Base interactions energy: -15.849 where: short stacking energy: -15.849 Base-Backbone interact. energy: -0.094 local terms energy: -24.362651 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.022 flat angles P-C4'-P energy: -2.469 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: 4, replica: 9 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -33.818480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.818480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.818480 (E_RNA) where: Base-Base interactions energy: -7.214 where: short stacking energy: -7.214 Base-Backbone interact. energy: -0.110 local terms energy: -26.494777 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -6.229 flat angles P-C4'-P energy: -5.386 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: 5, replica: 6 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -33.150998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.150998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.150998 (E_RNA) where: Base-Base interactions energy: -7.584 where: short stacking energy: -7.584 Base-Backbone interact. energy: -0.005 local terms energy: -25.562258 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -4.610 flat angles P-C4'-P energy: -4.527 tors. eta vs tors. theta energy: -4.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -30.315762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.315762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.315762 (E_RNA) where: Base-Base interactions energy: -8.742 where: short stacking energy: -8.742 Base-Backbone interact. energy: -0.150 local terms energy: -21.423421 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -5.836 flat angles C4'-P-C4' energy: -6.194 flat angles P-C4'-P energy: -3.397 tors. eta vs tors. theta energy: 0.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -31.065951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.065951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.065951 (E_RNA) where: Base-Base interactions energy: -11.176 where: short stacking energy: -11.176 Base-Backbone interact. energy: -0.977 local terms energy: -18.912132 where: bonds (distance) C4'-P energy: -3.902 bonds (distance) P-C4' energy: -6.334 flat angles C4'-P-C4' energy: -4.602 flat angles P-C4'-P energy: -4.609 tors. eta vs tors. theta energy: 0.534 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: 8, replica: 10 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -27.533035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.533035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.533035 (E_RNA) where: Base-Base interactions energy: -7.663 where: short stacking energy: -7.663 Base-Backbone interact. energy: -0.067 local terms energy: -19.803251 where: bonds (distance) C4'-P energy: -3.692 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -3.981 flat angles P-C4'-P energy: -4.868 tors. eta vs tors. theta energy: -0.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -27.998297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.998297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.998297 (E_RNA) where: Base-Base interactions energy: -3.743 where: short stacking energy: -3.743 Base-Backbone interact. energy: -0.000 local terms energy: -24.255326 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.623 flat angles P-C4'-P energy: -4.487 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: 3 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -31.937334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.937334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.937334 (E_RNA) where: Base-Base interactions energy: -8.416 where: short stacking energy: -4.729 Base-Backbone interact. energy: -0.049 local terms energy: -23.472584 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.002 flat angles P-C4'-P energy: -4.831 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: 1, replica: 5 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -42.354849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.354849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.354849 (E_RNA) where: Base-Base interactions energy: -15.424 where: short stacking energy: -11.110 Base-Backbone interact. energy: -0.690 local terms energy: -26.240594 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -3.452 tors. eta vs tors. theta energy: -2.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -40.502243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.502243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.502243 (E_RNA) where: Base-Base interactions energy: -12.057 where: short stacking energy: -12.057 Base-Backbone interact. energy: -0.049 local terms energy: -28.396559 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -6.762 flat angles P-C4'-P energy: -5.091 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: 9 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -37.569415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.569415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.569415 (E_RNA) where: Base-Base interactions energy: -9.911 where: short stacking energy: -9.911 Base-Backbone interact. energy: -0.000 local terms energy: -27.658251 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.853 flat angles P-C4'-P energy: -5.552 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: 4, replica: 7 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -37.263743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.263743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.263743 (E_RNA) where: Base-Base interactions energy: -15.540 where: short stacking energy: -15.540 Base-Backbone interact. energy: -0.099 local terms energy: -21.624803 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -2.904 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: 5, replica: 6 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -32.161723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.161723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.161723 (E_RNA) where: Base-Base interactions energy: -7.368 where: short stacking energy: -7.368 Base-Backbone interact. energy: -0.000 local terms energy: -24.793996 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.480 flat angles P-C4'-P energy: -5.061 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: 8 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -31.181399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.181399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.181399 (E_RNA) where: Base-Base interactions energy: -12.097 where: short stacking energy: -12.097 Base-Backbone interact. energy: -0.015 local terms energy: -19.069550 where: bonds (distance) C4'-P energy: -5.834 bonds (distance) P-C4' energy: -6.566 flat angles C4'-P-C4' energy: -4.592 flat angles P-C4'-P energy: -0.602 tors. eta vs tors. theta energy: -1.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -28.857249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.857249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.857249 (E_RNA) where: Base-Base interactions energy: -5.398 where: short stacking energy: -5.398 Base-Backbone interact. energy: -0.066 local terms energy: -23.393122 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -4.204 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: 8, replica: 1 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -29.032414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.032414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.032414 (E_RNA) where: Base-Base interactions energy: -6.793 where: short stacking energy: -6.793 Base-Backbone interact. energy: -0.067 local terms energy: -22.171666 where: bonds (distance) C4'-P energy: -4.536 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -4.407 flat angles P-C4'-P energy: -3.853 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: 9, replica: 3 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -31.613981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.613981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.613981 (E_RNA) where: Base-Base interactions energy: -4.114 where: short stacking energy: -4.114 Base-Backbone interact. energy: -0.245 local terms energy: -27.255197 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -4.685 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: 10, replica: 4 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -27.199420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.199420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.199420 (E_RNA) where: Base-Base interactions energy: -8.632 where: short stacking energy: -8.632 Base-Backbone interact. energy: -0.087 local terms energy: -18.481097 where: bonds (distance) C4'-P energy: -2.209 bonds (distance) P-C4' energy: -5.167 flat angles C4'-P-C4' energy: -7.430 flat angles P-C4'-P energy: -2.388 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: 1, replica: 5 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -41.551912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.551912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.551912 (E_RNA) where: Base-Base interactions energy: -11.838 where: short stacking energy: -11.838 Base-Backbone interact. energy: -0.000 local terms energy: -29.713526 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: -3.960 tors. eta vs tors. theta energy: -6.154 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: 9 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -40.122112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.122112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.122112 (E_RNA) where: Base-Base interactions energy: -14.702 where: short stacking energy: -14.702 Base-Backbone interact. energy: -0.100 local terms energy: -25.320584 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.714 flat angles P-C4'-P energy: -1.280 tors. eta vs tors. theta energy: -6.322 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: 351 Temperature: 1.000000 Total energy: -39.536666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.536666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.536666 (E_RNA) where: Base-Base interactions energy: -12.720 where: short stacking energy: -12.765 Base-Backbone interact. energy: -0.117 local terms energy: -26.699449 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -4.020 flat angles C4'-P-C4' energy: -6.572 flat angles P-C4'-P energy: -5.617 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: 4, replica: 7 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -34.699266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.699266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.699266 (E_RNA) where: Base-Base interactions energy: -12.500 where: short stacking energy: -8.505 Base-Backbone interact. energy: -1.054 local terms energy: -21.144877 where: bonds (distance) C4'-P energy: -4.933 bonds (distance) P-C4' energy: -5.005 flat angles C4'-P-C4' energy: -5.386 flat angles P-C4'-P energy: -3.054 tors. eta vs tors. theta energy: -2.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -31.054142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.054142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.054142 (E_RNA) where: Base-Base interactions energy: -6.517 where: short stacking energy: -6.517 Base-Backbone interact. energy: -0.011 local terms energy: -24.526207 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.119 flat angles P-C4'-P energy: -3.462 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: 6, replica: 10 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -30.168174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.168174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.168174 (E_RNA) where: Base-Base interactions energy: -5.432 where: short stacking energy: -5.432 Base-Backbone interact. energy: -0.000 local terms energy: -24.735392 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.823 flat angles C4'-P-C4' energy: -5.490 flat angles P-C4'-P energy: -3.179 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: 8 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -34.127582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.127582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.127582 (E_RNA) where: Base-Base interactions energy: -8.388 where: short stacking energy: -7.194 Base-Backbone interact. energy: -0.855 local terms energy: -24.884552 where: bonds (distance) C4'-P energy: -5.247 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.805 flat angles P-C4'-P energy: -5.576 tors. eta vs tors. theta energy: -1.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -30.861114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.861114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.861114 (E_RNA) where: Base-Base interactions energy: -4.988 where: short stacking energy: -4.988 Base-Backbone interact. energy: -0.911 local terms energy: -24.961948 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.177 flat angles P-C4'-P energy: -2.730 tors. eta vs tors. theta energy: -2.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -27.972178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.972178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.972178 (E_RNA) where: Base-Base interactions energy: -3.463 where: short stacking energy: -3.463 Base-Backbone interact. energy: -0.000 local terms energy: -24.509001 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.698 flat angles P-C4'-P energy: -4.852 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: 10, replica: 4 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -26.638192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.638192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.638192 (E_RNA) where: Base-Base interactions energy: -4.085 where: short stacking energy: -4.085 Base-Backbone interact. energy: -0.101 local terms energy: -22.452616 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.985 flat angles P-C4'-P energy: -4.048 tors. eta vs tors. theta energy: 0.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -40.292397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.292397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.292397 (E_RNA) where: Base-Base interactions energy: -13.709 where: short stacking energy: -11.386 Base-Backbone interact. energy: -0.032 local terms energy: -26.551762 where: bonds (distance) C4'-P energy: -6.001 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.438 flat angles P-C4'-P energy: -4.710 tors. eta vs tors. theta energy: -2.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -36.807592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.807592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.807592 (E_RNA) where: Base-Base interactions energy: -14.058 where: short stacking energy: -14.058 Base-Backbone interact. energy: -0.011 local terms energy: -22.738412 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -7.259 flat angles C4'-P-C4' energy: -5.492 flat angles P-C4'-P energy: -1.983 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: 3, replica: 2 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -31.985561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.985561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.985561 (E_RNA) where: Base-Base interactions energy: -8.353 where: short stacking energy: -8.353 Base-Backbone interact. energy: -0.090 local terms energy: -23.543177 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -3.290 flat angles P-C4'-P energy: -4.692 tors. eta vs tors. theta energy: -0.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -33.222131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.222131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.222131 (E_RNA) where: Base-Base interactions energy: -6.456 where: short stacking energy: -6.456 Base-Backbone interact. energy: -0.098 local terms energy: -26.667934 where: bonds (distance) C4'-P energy: -6.845 bonds (distance) P-C4' energy: -6.519 flat angles C4'-P-C4' energy: -6.807 flat angles P-C4'-P energy: -4.678 tors. eta vs tors. theta energy: -1.819 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: 6 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -32.300774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.300774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.300774 (E_RNA) where: Base-Base interactions energy: -6.843 where: short stacking energy: -6.843 Base-Backbone interact. energy: -1.134 local terms energy: -24.323685 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -4.612 flat angles P-C4'-P energy: -4.736 tors. eta vs tors. theta energy: -1.946 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: 352 Temperature: 1.150000 Total energy: -37.792836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.792836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.792836 (E_RNA) where: Base-Base interactions energy: -11.087 where: short stacking energy: -11.087 Base-Backbone interact. energy: -0.000 local terms energy: -26.705686 where: bonds (distance) C4'-P energy: -5.612 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.447 flat angles P-C4'-P energy: -5.504 tors. eta vs tors. theta energy: -1.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -34.988631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.988631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.988631 (E_RNA) where: Base-Base interactions energy: -8.802 where: short stacking energy: -8.802 Base-Backbone interact. energy: -0.000 local terms energy: -26.186469 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.840 flat angles P-C4'-P energy: -5.093 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: 3 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -29.211992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.211992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.211992 (E_RNA) where: Base-Base interactions energy: -6.624 where: short stacking energy: -6.624 Base-Backbone interact. energy: -0.053 local terms energy: -22.535564 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.056 flat angles P-C4'-P energy: -4.076 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: 9, replica: 4 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -31.027489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.027489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.027489 (E_RNA) where: Base-Base interactions energy: -9.113 where: short stacking energy: -6.975 Base-Backbone interact. energy: -0.107 local terms energy: -21.807194 where: bonds (distance) C4'-P energy: -5.857 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -5.907 flat angles P-C4'-P energy: -4.764 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: 10, replica: 1 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -27.789299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.789299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.789299 (E_RNA) where: Base-Base interactions energy: -7.058 where: short stacking energy: -7.058 Base-Backbone interact. energy: -0.077 local terms energy: -20.654302 where: bonds (distance) C4'-P energy: -4.179 bonds (distance) P-C4' energy: -4.578 flat angles C4'-P-C4' energy: -5.714 flat angles P-C4'-P energy: -4.522 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: 1, replica: 5 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -41.091232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.091232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.091232 (E_RNA) where: Base-Base interactions energy: -15.711 where: short stacking energy: -15.711 Base-Backbone interact. energy: -0.005 local terms energy: -25.375369 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -4.476 flat angles C4'-P-C4' energy: -6.690 flat angles P-C4'-P energy: -5.073 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: 2, replica: 2 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -41.111160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.111160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.111160 (E_RNA) where: Base-Base interactions energy: -13.666 where: short stacking energy: -13.666 Base-Backbone interact. energy: -0.000 local terms energy: -27.445291 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -6.456 flat angles P-C4'-P energy: -4.077 tors. eta vs tors. theta energy: -4.120 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: 9 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -35.698506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.698506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.698506 (E_RNA) where: Base-Base interactions energy: -11.398 where: short stacking energy: -11.398 Base-Backbone interact. energy: -0.039 local terms energy: -24.262045 where: bonds (distance) C4'-P energy: -3.844 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.351 flat angles P-C4'-P energy: -5.725 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: 6 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -37.707109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.707109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.707109 (E_RNA) where: Base-Base interactions energy: -11.663 where: short stacking energy: -11.663 Base-Backbone interact. energy: -0.000 local terms energy: -26.043113 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -5.970 flat angles P-C4'-P energy: -1.838 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: 5, replica: 7 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -35.431416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.431416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.431416 (E_RNA) where: Base-Base interactions energy: -7.971 where: short stacking energy: -7.971 Base-Backbone interact. energy: -0.086 local terms energy: -27.374586 where: bonds (distance) C4'-P energy: -5.488 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -5.627 flat angles P-C4'-P energy: -6.325 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: 6, replica: 8 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -30.116725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.116725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.116725 (E_RNA) where: Base-Base interactions energy: -6.774 where: short stacking energy: -6.774 Base-Backbone interact. energy: -0.010 local terms energy: -23.332360 where: bonds (distance) C4'-P energy: -4.633 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -4.056 flat angles P-C4'-P energy: -4.215 tors. eta vs tors. theta energy: -3.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -27.781381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.781381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.781381 (E_RNA) where: Base-Base interactions energy: -8.421 where: short stacking energy: -8.421 Base-Backbone interact. energy: -0.049 local terms energy: -19.310718 where: bonds (distance) C4'-P energy: -5.214 bonds (distance) P-C4' energy: -3.879 flat angles C4'-P-C4' energy: -5.174 flat angles P-C4'-P energy: -3.301 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: 8, replica: 4 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -28.121407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.121407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.121407 (E_RNA) where: Base-Base interactions energy: -7.071 where: short stacking energy: -7.071 Base-Backbone interact. energy: -0.005 local terms energy: -21.045334 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -5.225 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: 3 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -30.415952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.415952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.415952 (E_RNA) where: Base-Base interactions energy: -7.655 where: short stacking energy: -5.473 Base-Backbone interact. energy: -0.010 local terms energy: -22.750603 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -7.295 flat angles P-C4'-P energy: -2.985 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: 10, replica: 1 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -32.177205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.177205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.177205 (E_RNA) where: Base-Base interactions energy: -5.926 where: short stacking energy: -5.926 Base-Backbone interact. energy: -0.103 local terms energy: -26.148168 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.253 flat angles C4'-P-C4' energy: -4.028 flat angles P-C4'-P energy: -4.552 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: 1, replica: 5 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -35.345321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.345321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.345321 (E_RNA) where: Base-Base interactions energy: -9.740 where: short stacking energy: -9.740 Base-Backbone interact. energy: -0.011 local terms energy: -25.593962 where: bonds (distance) C4'-P energy: -5.343 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.473 flat angles P-C4'-P energy: -4.443 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: 2, replica: 2 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -37.420536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.420536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.420536 (E_RNA) where: Base-Base interactions energy: -12.544 where: short stacking energy: -11.678 Base-Backbone interact. energy: -0.000 local terms energy: -24.876956 where: bonds (distance) C4'-P energy: -5.235 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -5.623 flat angles P-C4'-P energy: -5.425 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: 3, replica: 9 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -33.887143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.887143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.887143 (E_RNA) where: Base-Base interactions energy: -8.807 where: short stacking energy: -8.807 Base-Backbone interact. energy: -0.000 local terms energy: -25.079678 where: bonds (distance) C4'-P energy: -3.744 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.292 flat angles P-C4'-P energy: -3.938 tors. eta vs tors. theta energy: -4.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -36.666212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.666212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.666212 (E_RNA) where: Base-Base interactions energy: -10.591 where: short stacking energy: -10.591 Base-Backbone interact. energy: -0.006 local terms energy: -26.068941 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.116 flat angles P-C4'-P energy: -4.613 tors. eta vs tors. theta energy: -2.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -29.940990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.940990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.940990 (E_RNA) where: Base-Base interactions energy: -5.535 where: short stacking energy: -5.535 Base-Backbone interact. energy: -0.029 local terms energy: -24.377314 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.707 flat angles P-C4'-P energy: -3.933 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: 6, replica: 7 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -30.523699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.523699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.523699 (E_RNA) where: Base-Base interactions energy: -4.827 where: short stacking energy: -4.827 Base-Backbone interact. energy: -0.011 local terms energy: -25.686413 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.560 flat angles P-C4'-P energy: -4.502 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: 7, replica: 4 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -29.720123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.720123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.720123 (E_RNA) where: Base-Base interactions energy: -9.542 where: short stacking energy: -9.542 Base-Backbone interact. energy: -0.003 local terms energy: -20.174943 where: bonds (distance) C4'-P energy: -4.208 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -5.442 flat angles P-C4'-P energy: -3.227 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: 8, replica: 10 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -33.019239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.019239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.019239 (E_RNA) where: Base-Base interactions energy: -6.496 where: short stacking energy: -6.496 Base-Backbone interact. energy: -0.025 local terms energy: -26.498248 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.199 flat angles P-C4'-P energy: -5.576 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: 9, replica: 3 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -28.631540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.631540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.631540 (E_RNA) where: Base-Base interactions energy: -7.669 where: short stacking energy: -7.669 Base-Backbone interact. energy: -0.024 local terms energy: -20.939238 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.616 flat angles P-C4'-P energy: -3.259 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: 10, replica: 1 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -26.937361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.937361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.937361 (E_RNA) where: Base-Base interactions energy: -3.598 where: short stacking energy: -3.598 Base-Backbone interact. energy: -0.073 local terms energy: -23.266858 where: bonds (distance) C4'-P energy: -5.351 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.595 flat angles P-C4'-P energy: -2.353 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: 1, replica: 5 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -40.897389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.897389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.897389 (E_RNA) where: Base-Base interactions energy: -14.830 where: short stacking energy: -14.830 Base-Backbone interact. energy: -0.000 local terms energy: -26.067296 where: bonds (distance) C4'-P energy: -4.783 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -5.734 flat angles P-C4'-P energy: -4.182 tors. eta vs tors. theta energy: -5.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -35.454112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.454112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.454112 (E_RNA) where: Base-Base interactions energy: -11.293 where: short stacking energy: -11.293 Base-Backbone interact. energy: -0.000 local terms energy: -24.160625 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -5.768 flat angles C4'-P-C4' energy: -5.285 flat angles P-C4'-P energy: -4.960 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: 3, replica: 2 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -34.066393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.066393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.066393 (E_RNA) where: Base-Base interactions energy: -11.198 where: short stacking energy: -11.198 Base-Backbone interact. energy: -0.165 local terms energy: -22.703285 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.898 flat angles P-C4'-P energy: -3.616 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: 4, replica: 6 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -37.666039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.666039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.666039 (E_RNA) where: Base-Base interactions energy: -14.086 where: short stacking energy: -14.086 Base-Backbone interact. energy: -0.004 local terms energy: -23.575161 where: bonds (distance) C4'-P energy: -5.744 bonds (distance) P-C4' energy: -6.600 flat angles C4'-P-C4' energy: -6.549 flat angles P-C4'-P energy: -4.123 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: 5, replica: 8 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -40.438795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.438795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.438795 (E_RNA) where: Base-Base interactions energy: -14.640 where: short stacking energy: -14.640 Base-Backbone interact. energy: -0.039 local terms energy: -25.759697 where: bonds (distance) C4'-P energy: -6.009 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -3.893 flat angles P-C4'-P energy: -5.712 tors. eta vs tors. theta energy: -3.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -32.860345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.860345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.860345 (E_RNA) where: Base-Base interactions energy: -6.715 where: short stacking energy: -6.715 Base-Backbone interact. energy: -0.048 local terms energy: -26.097671 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.167 flat angles P-C4'-P energy: -5.591 tors. eta vs tors. theta energy: 0.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -32.576528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.576528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.576528 (E_RNA) where: Base-Base interactions energy: -10.503 where: short stacking energy: -10.503 Base-Backbone interact. energy: -0.046 local terms energy: -22.027629 where: bonds (distance) C4'-P energy: -5.496 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -4.764 flat angles P-C4'-P energy: -1.443 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: 8, replica: 3 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -29.315869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.315869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.315869 (E_RNA) where: Base-Base interactions energy: -5.395 where: short stacking energy: -4.151 Base-Backbone interact. energy: -0.024 local terms energy: -23.896213 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -4.798 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: 9, replica: 10 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -26.976710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.976710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.976710 (E_RNA) where: Base-Base interactions energy: -9.558 where: short stacking energy: -9.558 Base-Backbone interact. energy: -0.001 local terms energy: -17.417807 where: bonds (distance) C4'-P energy: -4.043 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -1.441 flat angles P-C4'-P energy: -3.899 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: 10, replica: 1 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -29.289252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.289252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.289252 (E_RNA) where: Base-Base interactions energy: -9.216 where: short stacking energy: -9.216 Base-Backbone interact. energy: -0.000 local terms energy: -20.072606 where: bonds (distance) C4'-P energy: -4.784 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.009 flat angles P-C4'-P energy: -2.557 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: 1, replica: 9 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -44.739119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.739119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.739119 (E_RNA) where: Base-Base interactions energy: -16.106 where: short stacking energy: -16.106 Base-Backbone interact. energy: -0.083 local terms energy: -28.550251 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -5.976 flat angles P-C4'-P energy: -5.069 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: 2, replica: 5 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -40.844967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.844967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.844967 (E_RNA) where: Base-Base interactions energy: -12.463 where: short stacking energy: -12.463 Base-Backbone interact. energy: -0.001 local terms energy: -28.381082 where: bonds (distance) C4'-P energy: -6.187 bonds (distance) P-C4' energy: -7.520 flat angles C4'-P-C4' energy: -6.318 flat angles P-C4'-P energy: -3.650 tors. eta vs tors. theta energy: -4.707 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: 3, replica: 6 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -35.555532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.555532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.555532 (E_RNA) where: Base-Base interactions energy: -9.990 where: short stacking energy: -9.990 Base-Backbone interact. energy: -0.000 local terms energy: -25.564804 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -7.572 flat angles P-C4'-P energy: -4.572 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: 4, replica: 2 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -36.216264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.216264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.216264 (E_RNA) where: Base-Base interactions energy: -12.539 where: short stacking energy: -12.539 Base-Backbone interact. energy: -0.092 local terms energy: -23.586130 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -5.698 flat angles C4'-P-C4' energy: -5.919 flat angles P-C4'-P energy: -5.659 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: 5, replica: 4 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -35.081600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.081600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.081600 (E_RNA) where: Base-Base interactions energy: -11.057 where: short stacking energy: -11.558 Base-Backbone interact. energy: -0.000 local terms energy: -24.024133 where: bonds (distance) C4'-P energy: -5.981 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -6.992 flat angles P-C4'-P energy: -2.997 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: 6, replica: 8 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -36.483276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.483276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.483276 (E_RNA) where: Base-Base interactions energy: -9.980 where: short stacking energy: -9.980 Base-Backbone interact. energy: -0.001 local terms energy: -26.502604 where: bonds (distance) C4'-P energy: -5.479 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.707 flat angles P-C4'-P energy: -4.117 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: 7, replica: 3 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -28.822176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.822176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.822176 (E_RNA) where: Base-Base interactions energy: -7.848 where: short stacking energy: -7.959 Base-Backbone interact. energy: -0.024 local terms energy: -20.950506 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -4.110 flat angles C4'-P-C4' energy: -6.300 flat angles P-C4'-P energy: -5.091 tors. eta vs tors. theta energy: 0.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -30.826006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.826006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.826006 (E_RNA) where: Base-Base interactions energy: -8.764 where: short stacking energy: -8.764 Base-Backbone interact. energy: 0.061 local terms energy: -22.123591 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -2.829 flat angles P-C4'-P energy: -3.835 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: 9, replica: 1 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -30.849755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.849755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.849755 (E_RNA) where: Base-Base interactions energy: -6.967 where: short stacking energy: -6.967 Base-Backbone interact. energy: -0.097 local terms energy: -23.785983 where: bonds (distance) C4'-P energy: -2.866 bonds (distance) P-C4' energy: -5.421 flat angles C4'-P-C4' energy: -6.882 flat angles P-C4'-P energy: -4.945 tors. eta vs tors. theta energy: -3.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -31.466992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.466992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.466992 (E_RNA) where: Base-Base interactions energy: -6.878 where: short stacking energy: -6.878 Base-Backbone interact. energy: -0.010 local terms energy: -24.579634 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.283 flat angles P-C4'-P energy: -3.057 tors. eta vs tors. theta energy: -2.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -38.309236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.309236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.309236 (E_RNA) where: Base-Base interactions energy: -8.769 where: short stacking energy: -8.769 Base-Backbone interact. energy: -0.000 local terms energy: -29.539872 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.004 flat angles P-C4'-P energy: -4.876 tors. eta vs tors. theta energy: -5.477 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: 6 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -37.206821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.206821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.206821 (E_RNA) where: Base-Base interactions energy: -11.805 where: short stacking energy: -11.805 Base-Backbone interact. energy: -0.001 local terms energy: -25.400721 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.165 flat angles P-C4'-P energy: -5.163 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: 3, replica: 5 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -34.112489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.112489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.112489 (E_RNA) where: Base-Base interactions energy: -9.997 where: short stacking energy: -9.997 Base-Backbone interact. energy: -0.001 local terms energy: -24.114241 where: bonds (distance) C4'-P energy: -5.334 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -5.215 flat angles P-C4'-P energy: -4.925 tors. eta vs tors. theta energy: -2.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -36.938966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.938966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.938966 (E_RNA) where: Base-Base interactions energy: -10.069 where: short stacking energy: -10.069 Base-Backbone interact. energy: -0.156 local terms energy: -26.713865 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -7.460 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: -2.007 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: 2 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -31.351412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.351412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.351412 (E_RNA) where: Base-Base interactions energy: -7.070 where: short stacking energy: -6.196 Base-Backbone interact. energy: -0.013 local terms energy: -24.268357 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.569 flat angles P-C4'-P energy: -3.976 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: 6, replica: 3 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -31.983432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.983432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.983432 (E_RNA) where: Base-Base interactions energy: -7.296 where: short stacking energy: -7.296 Base-Backbone interact. energy: -0.123 local terms energy: -24.563710 where: bonds (distance) C4'-P energy: -5.595 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.388 flat angles P-C4'-P energy: -5.648 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: 7, replica: 8 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -28.819940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.819940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.819940 (E_RNA) where: Base-Base interactions energy: -6.742 where: short stacking energy: -6.742 Base-Backbone interact. energy: -0.036 local terms energy: -22.042079 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.022 flat angles C4'-P-C4' energy: -4.837 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: 0.095 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: 357 Temperature: 1.250000 Total energy: -32.436617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.436617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.436617 (E_RNA) where: Base-Base interactions energy: -5.750 where: short stacking energy: -5.268 Base-Backbone interact. energy: -0.008 local terms energy: -26.678856 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -6.759 flat angles P-C4'-P energy: -4.949 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: 9, replica: 7 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -30.662280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.662280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.662280 (E_RNA) where: Base-Base interactions energy: -8.397 where: short stacking energy: -8.161 Base-Backbone interact. energy: -0.157 local terms energy: -22.108601 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.759 flat angles P-C4'-P energy: -3.711 tors. eta vs tors. theta energy: 1.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -26.592477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.592477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.592477 (E_RNA) where: Base-Base interactions energy: -2.898 where: short stacking energy: -3.098 Base-Backbone interact. energy: -0.099 local terms energy: -23.595514 where: bonds (distance) C4'-P energy: -5.363 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.946 flat angles P-C4'-P energy: -4.307 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: 1, replica: 9 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -38.570106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.570106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.570106 (E_RNA) where: Base-Base interactions energy: -11.594 where: short stacking energy: -11.594 Base-Backbone interact. energy: -0.010 local terms energy: -26.966106 where: bonds (distance) C4'-P energy: -6.009 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.956 flat angles P-C4'-P energy: -4.686 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: 2, replica: 6 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -36.191391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.191391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.191391 (E_RNA) where: Base-Base interactions energy: -10.124 where: short stacking energy: -6.892 Base-Backbone interact. energy: -1.397 local terms energy: -24.670754 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.891 flat angles P-C4'-P energy: -5.787 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: 3, replica: 4 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -37.271493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.271493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.271493 (E_RNA) where: Base-Base interactions energy: -9.223 where: short stacking energy: -9.223 Base-Backbone interact. energy: -0.230 local terms energy: -27.818574 where: bonds (distance) C4'-P energy: -5.087 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.230 flat angles P-C4'-P energy: -5.404 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: 4, replica: 5 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -35.869365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.869365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.869365 (E_RNA) where: Base-Base interactions energy: -13.866 where: short stacking energy: -13.866 Base-Backbone interact. energy: -0.000 local terms energy: -22.003472 where: bonds (distance) C4'-P energy: -5.707 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -4.827 flat angles P-C4'-P energy: -1.301 tors. eta vs tors. theta energy: -4.361 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: 3 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -34.657265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.657265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.657265 (E_RNA) where: Base-Base interactions energy: -9.608 where: short stacking energy: -9.608 Base-Backbone interact. energy: -0.019 local terms energy: -25.030570 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.634 flat angles P-C4'-P energy: -4.922 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: 6, replica: 2 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -32.127333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.127333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.127333 (E_RNA) where: Base-Base interactions energy: -8.579 where: short stacking energy: -8.579 Base-Backbone interact. energy: -0.001 local terms energy: -23.547435 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -6.615 flat angles P-C4'-P energy: -5.094 tors. eta vs tors. theta energy: -1.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -33.100393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.100393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.100393 (E_RNA) where: Base-Base interactions energy: -7.467 where: short stacking energy: -7.467 Base-Backbone interact. energy: -0.000 local terms energy: -25.633076 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -3.610 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -3.991 tors. eta vs tors. theta energy: -6.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -32.138106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.138106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.138106 (E_RNA) where: Base-Base interactions energy: -9.038 where: short stacking energy: -9.038 Base-Backbone interact. energy: -0.354 local terms energy: -22.746297 where: bonds (distance) C4'-P energy: -5.666 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.075 flat angles P-C4'-P energy: -4.353 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: 9, replica: 10 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -34.834376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.834376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.834376 (E_RNA) where: Base-Base interactions energy: -11.712 where: short stacking energy: -11.712 Base-Backbone interact. energy: -0.000 local terms energy: -23.121714 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.760 flat angles P-C4'-P energy: -1.188 tors. eta vs tors. theta energy: -5.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -26.611914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.611914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.611914 (E_RNA) where: Base-Base interactions energy: -6.237 where: short stacking energy: -3.368 Base-Backbone interact. energy: -0.100 local terms energy: -20.274690 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.966 flat angles P-C4'-P energy: -0.048 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: 1, replica: 9 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -35.240139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.240139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.240139 (E_RNA) where: Base-Base interactions energy: -8.899 where: short stacking energy: -8.899 Base-Backbone interact. energy: -0.034 local terms energy: -26.307080 where: bonds (distance) C4'-P energy: -5.343 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.009 flat angles P-C4'-P energy: -5.053 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: 2, replica: 4 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -37.151525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.151525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.151525 (E_RNA) where: Base-Base interactions energy: -15.406 where: short stacking energy: -15.406 Base-Backbone interact. energy: -0.000 local terms energy: -21.744770 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -4.330 flat angles C4'-P-C4' energy: -6.308 flat angles P-C4'-P energy: -4.117 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: 6 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -37.126107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.126107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.126107 (E_RNA) where: Base-Base interactions energy: -9.088 where: short stacking energy: -9.088 Base-Backbone interact. energy: -0.035 local terms energy: -28.002805 where: bonds (distance) C4'-P energy: -5.893 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.774 flat angles P-C4'-P energy: -3.530 tors. eta vs tors. theta energy: -4.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -41.883212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.883212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.883212 (E_RNA) where: Base-Base interactions energy: -15.241 where: short stacking energy: -15.241 Base-Backbone interact. energy: -0.000 local terms energy: -26.642687 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -5.072 flat angles P-C4'-P energy: -3.514 tors. eta vs tors. theta energy: -5.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -39.272769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.272769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.272769 (E_RNA) where: Base-Base interactions energy: -14.767 where: short stacking energy: -14.767 Base-Backbone interact. energy: -0.032 local terms energy: -24.473060 where: bonds (distance) C4'-P energy: -4.651 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -6.206 flat angles P-C4'-P energy: -4.626 tors. eta vs tors. theta energy: -4.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -31.573646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.573646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.573646 (E_RNA) where: Base-Base interactions energy: -7.822 where: short stacking energy: -7.822 Base-Backbone interact. energy: -0.087 local terms energy: -23.665091 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.414 flat angles P-C4'-P energy: -4.269 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: 7, replica: 2 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -31.127516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.127516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.127516 (E_RNA) where: Base-Base interactions energy: -7.107 where: short stacking energy: -7.107 Base-Backbone interact. energy: -0.112 local terms energy: -23.908498 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -4.557 flat angles P-C4'-P energy: -5.249 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: 8, replica: 10 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -28.914058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.914058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.914058 (E_RNA) where: Base-Base interactions energy: -4.944 where: short stacking energy: -4.944 Base-Backbone interact. energy: -0.016 local terms energy: -23.954114 where: bonds (distance) C4'-P energy: -4.030 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.346 flat angles P-C4'-P energy: -4.006 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: 9, replica: 8 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -29.593493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.593493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.593493 (E_RNA) where: Base-Base interactions energy: -3.249 where: short stacking energy: -3.249 Base-Backbone interact. energy: -0.166 local terms energy: -26.178307 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -7.029 flat angles P-C4'-P energy: -4.942 tors. eta vs tors. theta energy: 0.254 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: 7 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -26.955955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.955955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.955955 (E_RNA) where: Base-Base interactions energy: -4.022 where: short stacking energy: -4.022 Base-Backbone interact. energy: -0.001 local terms energy: -22.932492 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -5.742 flat angles C4'-P-C4' energy: -5.469 flat angles P-C4'-P energy: -4.082 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: 1, replica: 4 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -37.597241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.597241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.597241 (E_RNA) where: Base-Base interactions energy: -10.160 where: short stacking energy: -10.160 Base-Backbone interact. energy: -0.011 local terms energy: -27.426210 where: bonds (distance) C4'-P energy: -5.124 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.920 flat angles P-C4'-P energy: -4.848 tors. eta vs tors. theta energy: -3.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -35.700287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.700287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.700287 (E_RNA) where: Base-Base interactions energy: -11.055 where: short stacking energy: -11.055 Base-Backbone interact. energy: -0.069 local terms energy: -24.575449 where: bonds (distance) C4'-P energy: -5.115 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.128 flat angles P-C4'-P energy: -4.656 tors. eta vs tors. theta energy: -2.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -41.978240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.978240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.978240 (E_RNA) where: Base-Base interactions energy: -13.140 where: short stacking energy: -13.140 Base-Backbone interact. energy: -0.000 local terms energy: -28.838192 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.100 flat angles P-C4'-P energy: -2.281 tors. eta vs tors. theta energy: -5.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -38.164591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.164591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.164591 (E_RNA) where: Base-Base interactions energy: -10.691 where: short stacking energy: -10.691 Base-Backbone interact. energy: -0.029 local terms energy: -27.444525 where: bonds (distance) C4'-P energy: -5.173 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -6.599 flat angles P-C4'-P energy: -5.481 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: 5, replica: 1 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -35.826826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.826826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.826826 (E_RNA) where: Base-Base interactions energy: -8.260 where: short stacking energy: -8.260 Base-Backbone interact. energy: -0.060 local terms energy: -27.507278 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.163 flat angles P-C4'-P energy: -4.854 tors. eta vs tors. theta energy: -2.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -34.123189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.123189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.123189 (E_RNA) where: Base-Base interactions energy: -9.855 where: short stacking energy: -9.855 Base-Backbone interact. energy: -0.041 local terms energy: -24.226748 where: bonds (distance) C4'-P energy: -4.862 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -4.444 flat angles P-C4'-P energy: -4.883 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: 7, replica: 10 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -27.786057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.786057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.786057 (E_RNA) where: Base-Base interactions energy: -4.274 where: short stacking energy: -4.274 Base-Backbone interact. energy: -0.000 local terms energy: -23.511694 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.227 flat angles P-C4'-P energy: -2.964 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: 8, replica: 2 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -28.002402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.002402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.002402 (E_RNA) where: Base-Base interactions energy: -5.285 where: short stacking energy: -4.246 Base-Backbone interact. energy: -0.869 local terms energy: -21.848859 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -4.472 flat angles C4'-P-C4' energy: -5.211 flat angles P-C4'-P energy: -4.915 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: 9, replica: 8 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -27.297297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.297297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.297297 (E_RNA) where: Base-Base interactions energy: -3.575 where: short stacking energy: -3.575 Base-Backbone interact. energy: -0.019 local terms energy: -23.703981 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: -5.207 tors. eta vs tors. theta energy: 0.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -29.154585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.154585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.154585 (E_RNA) where: Base-Base interactions energy: -10.617 where: short stacking energy: -8.366 Base-Backbone interact. energy: -0.085 local terms energy: -18.452769 where: bonds (distance) C4'-P energy: -2.966 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -2.095 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: 1, replica: 4 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -36.529102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.529102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.529102 (E_RNA) where: Base-Base interactions energy: -11.721 where: short stacking energy: -11.721 Base-Backbone interact. energy: -0.065 local terms energy: -24.742632 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -5.062 flat angles C4'-P-C4' energy: -4.843 flat angles P-C4'-P energy: -5.460 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: 2, replica: 3 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -38.929509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.929509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.929509 (E_RNA) where: Base-Base interactions energy: -11.846 where: short stacking energy: -11.846 Base-Backbone interact. energy: -0.000 local terms energy: -27.082909 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.882 flat angles P-C4'-P energy: -5.005 tors. eta vs tors. theta energy: -2.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -35.046891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.046891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.046891 (E_RNA) where: Base-Base interactions energy: -9.962 where: short stacking energy: -9.962 Base-Backbone interact. energy: -0.125 local terms energy: -24.960247 where: bonds (distance) C4'-P energy: -6.000 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.748 flat angles P-C4'-P energy: -4.644 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: 4, replica: 1 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -35.548564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.548564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.548564 (E_RNA) where: Base-Base interactions energy: -7.667 where: short stacking energy: -7.667 Base-Backbone interact. energy: -0.022 local terms energy: -27.859838 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.645 flat angles P-C4'-P energy: -4.689 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: 5, replica: 6 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -33.987334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.987334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.987334 (E_RNA) where: Base-Base interactions energy: -9.314 where: short stacking energy: -9.314 Base-Backbone interact. energy: -0.094 local terms energy: -24.579372 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -4.775 flat angles P-C4'-P energy: -4.126 tors. eta vs tors. theta energy: -3.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -29.788902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.788902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.788902 (E_RNA) where: Base-Base interactions energy: -7.598 where: short stacking energy: -7.598 Base-Backbone interact. energy: -0.309 local terms energy: -21.881962 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.310 flat angles P-C4'-P energy: -5.147 tors. eta vs tors. theta energy: -0.028 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: 5 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -29.131581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.131581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.131581 (E_RNA) where: Base-Base interactions energy: -4.667 where: short stacking energy: -4.667 Base-Backbone interact. energy: -0.021 local terms energy: -24.444085 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.979 flat angles P-C4'-P energy: -5.100 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: 8, replica: 8 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -31.077831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.077831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.077831 (E_RNA) where: Base-Base interactions energy: -8.372 where: short stacking energy: -6.748 Base-Backbone interact. energy: -0.093 local terms energy: -22.612975 where: bonds (distance) C4'-P energy: -4.552 bonds (distance) P-C4' energy: -4.314 flat angles C4'-P-C4' energy: -5.560 flat angles P-C4'-P energy: -5.602 tors. eta vs tors. theta energy: -2.584 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: 2 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -32.358981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.358981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.358981 (E_RNA) where: Base-Base interactions energy: -12.180 where: short stacking energy: -12.180 Base-Backbone interact. energy: -0.003 local terms energy: -20.176413 where: bonds (distance) C4'-P energy: -5.503 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -5.254 flat angles P-C4'-P energy: -5.209 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: 10, replica: 7 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -31.577535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.577535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.577535 (E_RNA) where: Base-Base interactions energy: -3.485 where: short stacking energy: -3.485 Base-Backbone interact. energy: -0.779 local terms energy: -27.313254 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.617 flat angles P-C4'-P energy: -2.909 tors. eta vs tors. theta energy: -4.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -37.392563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.392563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.392563 (E_RNA) where: Base-Base interactions energy: -11.427 where: short stacking energy: -11.427 Base-Backbone interact. energy: -0.012 local terms energy: -25.953366 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -3.547 tors. eta vs tors. theta energy: -4.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -36.272263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.272263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.272263 (E_RNA) where: Base-Base interactions energy: -9.883 where: short stacking energy: -9.883 Base-Backbone interact. energy: -0.012 local terms energy: -26.376948 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -5.759 flat angles P-C4'-P energy: -5.580 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: 3, replica: 1 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -34.377639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.377639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.377639 (E_RNA) where: Base-Base interactions energy: -9.122 where: short stacking energy: -9.122 Base-Backbone interact. energy: -0.798 local terms energy: -24.457943 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.787 flat angles C4'-P-C4' energy: -4.896 flat angles P-C4'-P energy: -3.272 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: 4, replica: 9 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -39.863924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.863924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.863924 (E_RNA) where: Base-Base interactions energy: -12.672 where: short stacking energy: -12.672 Base-Backbone interact. energy: -0.000 local terms energy: -27.191432 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -2.374 tors. eta vs tors. theta energy: -5.316 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: 10 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -35.125107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.125107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.125107 (E_RNA) where: Base-Base interactions energy: -9.195 where: short stacking energy: -7.398 Base-Backbone interact. energy: -0.031 local terms energy: -25.898390 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.465 flat angles P-C4'-P energy: -4.040 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: 6, replica: 6 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -35.697824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.697824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.697824 (E_RNA) where: Base-Base interactions energy: -9.838 where: short stacking energy: -9.838 Base-Backbone interact. energy: -0.020 local terms energy: -25.840584 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.086 flat angles P-C4'-P energy: -5.741 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: 7, replica: 8 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -28.614535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.614535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.614535 (E_RNA) where: Base-Base interactions energy: -5.302 where: short stacking energy: -5.302 Base-Backbone interact. energy: -0.091 local terms energy: -23.220691 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.136 flat angles P-C4'-P energy: -4.117 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: 8, replica: 5 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -31.383094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.383094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.383094 (E_RNA) where: Base-Base interactions energy: -10.019 where: short stacking energy: -10.019 Base-Backbone interact. energy: -0.100 local terms energy: -21.263971 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.244 flat angles P-C4'-P energy: -2.960 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: 9, replica: 7 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -29.985761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.985761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.985761 (E_RNA) where: Base-Base interactions energy: -8.686 where: short stacking energy: -8.686 Base-Backbone interact. energy: -0.101 local terms energy: -21.199061 where: bonds (distance) C4'-P energy: -4.242 bonds (distance) P-C4' energy: -6.059 flat angles C4'-P-C4' energy: -6.228 flat angles P-C4'-P energy: -4.423 tors. eta vs tors. theta energy: -0.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -31.943043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.943043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.943043 (E_RNA) where: Base-Base interactions energy: -8.913 where: short stacking energy: -8.913 Base-Backbone interact. energy: -0.001 local terms energy: -23.028892 where: bonds (distance) C4'-P energy: -4.739 bonds (distance) P-C4' energy: -5.161 flat angles C4'-P-C4' energy: -5.129 flat angles P-C4'-P energy: -4.185 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: 1, replica: 3 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -39.517436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.517436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.517436 (E_RNA) where: Base-Base interactions energy: -11.971 where: short stacking energy: -11.971 Base-Backbone interact. energy: -0.003 local terms energy: -27.543196 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.762 flat angles C4'-P-C4' energy: -5.894 flat angles P-C4'-P energy: -3.279 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: 2, replica: 1 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -39.227713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.227713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.227713 (E_RNA) where: Base-Base interactions energy: -12.483 where: short stacking energy: -12.483 Base-Backbone interact. energy: -0.000 local terms energy: -26.745150 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -5.524 flat angles P-C4'-P energy: -5.904 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: 3, replica: 4 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -39.094132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.094132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.094132 (E_RNA) where: Base-Base interactions energy: -12.411 where: short stacking energy: -12.411 Base-Backbone interact. energy: -0.000 local terms energy: -26.683215 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -4.470 flat angles C4'-P-C4' energy: -5.417 flat angles P-C4'-P energy: -6.432 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: 4, replica: 9 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -36.434581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.434581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.434581 (E_RNA) where: Base-Base interactions energy: -13.522 where: short stacking energy: -13.522 Base-Backbone interact. energy: -0.001 local terms energy: -22.911544 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -6.005 flat angles C4'-P-C4' energy: -3.724 flat angles P-C4'-P energy: -4.697 tors. eta vs tors. theta energy: -4.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -31.995900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.995900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.995900 (E_RNA) where: Base-Base interactions energy: -7.336 where: short stacking energy: -7.348 Base-Backbone interact. energy: -0.001 local terms energy: -24.658531 where: bonds (distance) C4'-P energy: -5.111 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.390 flat angles P-C4'-P energy: -5.645 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: 6, replica: 8 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -31.880315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.880315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.880315 (E_RNA) where: Base-Base interactions energy: -6.595 where: short stacking energy: -6.888 Base-Backbone interact. energy: -0.794 local terms energy: -24.491046 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.859 flat angles P-C4'-P energy: -5.754 tors. eta vs tors. theta energy: 0.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -29.830772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.830772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.830772 (E_RNA) where: Base-Base interactions energy: -6.013 where: short stacking energy: -6.013 Base-Backbone interact. energy: -0.035 local terms energy: -23.783686 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -1.902 flat angles P-C4'-P energy: -5.794 tors. eta vs tors. theta energy: -2.322 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: 7 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -27.495023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.495023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.495023 (E_RNA) where: Base-Base interactions energy: -8.093 where: short stacking energy: -8.093 Base-Backbone interact. energy: -0.012 local terms energy: -19.390001 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.249 flat angles P-C4'-P energy: -3.850 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: 9, replica: 5 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -27.702140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.702140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.702140 (E_RNA) where: Base-Base interactions energy: -3.589 where: short stacking energy: -3.589 Base-Backbone interact. energy: -0.131 local terms energy: -23.982427 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.037 flat angles P-C4'-P energy: -3.415 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: 10, replica: 2 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -26.585005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.585005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.585005 (E_RNA) where: Base-Base interactions energy: -2.850 where: short stacking energy: -2.850 Base-Backbone interact. energy: 0.094 local terms energy: -23.829408 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.294 flat angles P-C4'-P energy: -4.903 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: 1, replica: 1 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -42.426600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.426600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.426600 (E_RNA) where: Base-Base interactions energy: -15.206 where: short stacking energy: -15.206 Base-Backbone interact. energy: -0.011 local terms energy: -27.208825 where: bonds (distance) C4'-P energy: -5.139 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.630 flat angles P-C4'-P energy: -4.561 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: 2, replica: 3 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -34.799251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.799251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.799251 (E_RNA) where: Base-Base interactions energy: -14.365 where: short stacking energy: -9.576 Base-Backbone interact. energy: -0.966 local terms energy: -19.468302 where: bonds (distance) C4'-P energy: -5.488 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -3.852 flat angles P-C4'-P energy: 0.894 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: 3, replica: 4 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -34.150514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.150514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.150514 (E_RNA) where: Base-Base interactions energy: -7.612 where: short stacking energy: -7.612 Base-Backbone interact. energy: -0.084 local terms energy: -26.454424 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -7.096 flat angles P-C4'-P energy: -3.429 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: 4, replica: 9 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -31.364653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.364653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.364653 (E_RNA) where: Base-Base interactions energy: -6.660 where: short stacking energy: -6.660 Base-Backbone interact. energy: -0.011 local terms energy: -24.693776 where: bonds (distance) C4'-P energy: -4.766 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: -3.826 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: 8 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -34.160772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.160772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.160772 (E_RNA) where: Base-Base interactions energy: -12.407 where: short stacking energy: -12.407 Base-Backbone interact. energy: -0.072 local terms energy: -21.681741 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -5.717 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -3.977 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: 6, replica: 10 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -35.519579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.519579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.519579 (E_RNA) where: Base-Base interactions energy: -7.672 where: short stacking energy: -7.307 Base-Backbone interact. energy: -0.032 local terms energy: -27.815512 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.051 flat angles P-C4'-P energy: -5.725 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: 7 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -31.603398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.603398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.603398 (E_RNA) where: Base-Base interactions energy: -5.901 where: short stacking energy: -5.901 Base-Backbone interact. energy: -0.010 local terms energy: -25.692714 where: bonds (distance) C4'-P energy: -4.734 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.868 flat angles P-C4'-P energy: -4.360 tors. eta vs tors. theta energy: -3.433 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: 6 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -30.293502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.293502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.293502 (E_RNA) where: Base-Base interactions energy: -9.586 where: short stacking energy: -7.273 Base-Backbone interact. energy: -0.160 local terms energy: -20.547580 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -4.898 flat angles C4'-P-C4' energy: -5.420 flat angles P-C4'-P energy: -3.347 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: 9, replica: 5 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -26.386090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.386090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.386090 (E_RNA) where: Base-Base interactions energy: -6.313 where: short stacking energy: -6.313 Base-Backbone interact. energy: -0.002 local terms energy: -20.071028 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -5.224 flat angles P-C4'-P energy: -0.521 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: 10, replica: 2 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -29.855355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.855355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.855355 (E_RNA) where: Base-Base interactions energy: -8.223 where: short stacking energy: -8.223 Base-Backbone interact. energy: -0.049 local terms energy: -21.582628 where: bonds (distance) C4'-P energy: -6.299 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -3.619 flat angles P-C4'-P energy: -4.076 tors. eta vs tors. theta energy: -0.055 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: 1 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -42.996277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.996277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.996277 (E_RNA) where: Base-Base interactions energy: -14.922 where: short stacking energy: -14.922 Base-Backbone interact. energy: -0.150 local terms energy: -27.924876 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -6.204 flat angles C4'-P-C4' energy: -6.936 flat angles P-C4'-P energy: -4.956 tors. eta vs tors. theta energy: -3.767 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: 4 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -41.528465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.528465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.528465 (E_RNA) where: Base-Base interactions energy: -16.158 where: short stacking energy: -15.279 Base-Backbone interact. energy: -0.001 local terms energy: -25.369854 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -3.728 flat angles C4'-P-C4' energy: -4.708 flat angles P-C4'-P energy: -6.169 tors. eta vs tors. theta energy: -3.688 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: 3 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -38.537148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.537148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.537148 (E_RNA) where: Base-Base interactions energy: -10.981 where: short stacking energy: -10.981 Base-Backbone interact. energy: -0.960 local terms energy: -26.596045 where: bonds (distance) C4'-P energy: -6.373 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.893 flat angles P-C4'-P energy: -5.187 tors. eta vs tors. theta energy: -1.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -36.068661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.068661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.068661 (E_RNA) where: Base-Base interactions energy: -9.440 where: short stacking energy: -8.010 Base-Backbone interact. energy: -0.106 local terms energy: -26.523123 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.878 flat angles P-C4'-P energy: -6.421 tors. eta vs tors. theta energy: -0.898 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: 5, replica: 9 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -29.988210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.988210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.988210 (E_RNA) where: Base-Base interactions energy: -8.103 where: short stacking energy: -8.103 Base-Backbone interact. energy: -0.101 local terms energy: -21.784225 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -5.554 flat angles C4'-P-C4' energy: -4.827 flat angles P-C4'-P energy: -5.206 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: 6, replica: 7 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -29.266360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.266360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.266360 (E_RNA) where: Base-Base interactions energy: -7.281 where: short stacking energy: -3.871 Base-Backbone interact. energy: 0.038 local terms energy: -22.023469 where: bonds (distance) C4'-P energy: -5.405 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -5.340 flat angles P-C4'-P energy: -4.999 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: 7, replica: 10 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -34.758706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.758706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.758706 (E_RNA) where: Base-Base interactions energy: -11.121 where: short stacking energy: -11.121 Base-Backbone interact. energy: -0.001 local terms energy: -23.636842 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -6.727 flat angles P-C4'-P energy: -3.341 tors. eta vs tors. theta energy: -1.346 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: 6 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -30.085597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.085597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.085597 (E_RNA) where: Base-Base interactions energy: -8.007 where: short stacking energy: -8.007 Base-Backbone interact. energy: -0.209 local terms energy: -21.869820 where: bonds (distance) C4'-P energy: -5.426 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.023 flat angles P-C4'-P energy: -3.824 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: 9, replica: 5 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -31.174078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.174078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.174078 (E_RNA) where: Base-Base interactions energy: -4.658 where: short stacking energy: -4.658 Base-Backbone interact. energy: -0.000 local terms energy: -26.515903 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.735 flat angles C4'-P-C4' energy: -5.392 flat angles P-C4'-P energy: -2.105 tors. eta vs tors. theta energy: -5.670 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: 10, replica: 2 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -31.929762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.929762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.929762 (E_RNA) where: Base-Base interactions energy: -9.318 where: short stacking energy: -9.318 Base-Backbone interact. energy: -0.019 local terms energy: -22.592022 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -4.961 flat angles P-C4'-P energy: -4.252 tors. eta vs tors. theta energy: -1.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -44.092707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.092707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.092707 (E_RNA) where: Base-Base interactions energy: -12.646 where: short stacking energy: -12.646 Base-Backbone interact. energy: -0.000 local terms energy: -31.446060 where: bonds (distance) C4'-P energy: -5.931 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.372 flat angles P-C4'-P energy: -5.495 tors. eta vs tors. theta energy: -5.624 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: 1 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -38.107614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.107614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.107614 (E_RNA) where: Base-Base interactions energy: -11.404 where: short stacking energy: -11.404 Base-Backbone interact. energy: -0.008 local terms energy: -26.696046 where: bonds (distance) C4'-P energy: -6.038 bonds (distance) P-C4' energy: -6.269 flat angles C4'-P-C4' energy: -7.109 flat angles P-C4'-P energy: -4.670 tors. eta vs tors. theta energy: -2.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -35.869327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.869327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.869327 (E_RNA) where: Base-Base interactions energy: -9.391 where: short stacking energy: -8.770 Base-Backbone interact. energy: -0.056 local terms energy: -26.423203 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -6.136 flat angles P-C4'-P energy: -5.254 tors. eta vs tors. theta energy: -2.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -34.619142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.619142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.619142 (E_RNA) where: Base-Base interactions energy: -10.166 where: short stacking energy: -10.166 Base-Backbone interact. energy: -0.070 local terms energy: -24.382369 where: bonds (distance) C4'-P energy: -4.660 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.191 flat angles P-C4'-P energy: -4.373 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: 7 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -33.218405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.218405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.218405 (E_RNA) where: Base-Base interactions energy: -7.785 where: short stacking energy: -7.785 Base-Backbone interact. energy: -0.084 local terms energy: -25.349845 where: bonds (distance) C4'-P energy: -4.685 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -6.783 flat angles P-C4'-P energy: -4.872 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: 6, replica: 9 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -33.000675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.000675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.000675 (E_RNA) where: Base-Base interactions energy: -8.632 where: short stacking energy: -8.632 Base-Backbone interact. energy: -0.091 local terms energy: -24.278017 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -7.012 flat angles P-C4'-P energy: -4.386 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: 6 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -31.113770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.113770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.113770 (E_RNA) where: Base-Base interactions energy: -10.933 where: short stacking energy: -10.933 Base-Backbone interact. energy: -0.158 local terms energy: -20.023034 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -3.357 flat angles C4'-P-C4' energy: -7.481 flat angles P-C4'-P energy: -3.801 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: 8, replica: 10 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -33.828666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.828666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.828666 (E_RNA) where: Base-Base interactions energy: -12.280 where: short stacking energy: -11.378 Base-Backbone interact. energy: -0.072 local terms energy: -21.476488 where: bonds (distance) C4'-P energy: -4.304 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.830 flat angles P-C4'-P energy: -2.777 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: 9, replica: 5 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -28.922726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.922726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.922726 (E_RNA) where: Base-Base interactions energy: -6.986 where: short stacking energy: -6.833 Base-Backbone interact. energy: 0.429 local terms energy: -22.365848 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -4.298 flat angles P-C4'-P energy: -4.530 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: 10, replica: 2 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -28.220560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.220560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.220560 (E_RNA) where: Base-Base interactions energy: -7.517 where: short stacking energy: -7.517 Base-Backbone interact. energy: -0.015 local terms energy: -20.689218 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -2.514 flat angles P-C4'-P energy: -4.511 tors. eta vs tors. theta energy: -1.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -39.719870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.719870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.719870 (E_RNA) where: Base-Base interactions energy: -11.748 where: short stacking energy: -11.748 Base-Backbone interact. energy: -0.000 local terms energy: -27.971576 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -6.658 flat angles P-C4'-P energy: -4.663 tors. eta vs tors. theta energy: -2.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -38.266466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.266466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.266466 (E_RNA) where: Base-Base interactions energy: -9.541 where: short stacking energy: -8.996 Base-Backbone interact. energy: -0.069 local terms energy: -28.656355 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -6.049 flat angles P-C4'-P energy: -4.551 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: 3, replica: 1 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -34.750316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.750316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.750316 (E_RNA) where: Base-Base interactions energy: -9.508 where: short stacking energy: -9.508 Base-Backbone interact. energy: -0.150 local terms energy: -25.092498 where: bonds (distance) C4'-P energy: -5.488 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.393 flat angles P-C4'-P energy: -4.974 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: 4, replica: 7 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -34.553994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.553994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.553994 (E_RNA) where: Base-Base interactions energy: -9.083 where: short stacking energy: -9.083 Base-Backbone interact. energy: -0.000 local terms energy: -25.470478 where: bonds (distance) C4'-P energy: -3.249 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -7.303 flat angles P-C4'-P energy: -3.836 tors. eta vs tors. theta energy: -3.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -33.096601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.096601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.096601 (E_RNA) where: Base-Base interactions energy: -9.336 where: short stacking energy: -8.025 Base-Backbone interact. energy: -0.001 local terms energy: -23.759103 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.551 flat angles P-C4'-P energy: -3.089 tors. eta vs tors. theta energy: -2.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -34.777617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.777617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.777617 (E_RNA) where: Base-Base interactions energy: -11.782 where: short stacking energy: -11.782 Base-Backbone interact. energy: -0.144 local terms energy: -22.851064 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.176 flat angles P-C4'-P energy: -3.075 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: 7, replica: 9 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -29.945745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.945745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.945745 (E_RNA) where: Base-Base interactions energy: -7.141 where: short stacking energy: -7.141 Base-Backbone interact. energy: -0.092 local terms energy: -22.712884 where: bonds (distance) C4'-P energy: -6.754 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.093 flat angles P-C4'-P energy: -3.728 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: 8, replica: 5 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -30.320912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.320912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.320912 (E_RNA) where: Base-Base interactions energy: -7.261 where: short stacking energy: -7.261 Base-Backbone interact. energy: -0.047 local terms energy: -23.013208 where: bonds (distance) C4'-P energy: -4.660 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -6.325 flat angles P-C4'-P energy: -2.941 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: 9, replica: 10 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -27.247255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.247255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.247255 (E_RNA) where: Base-Base interactions energy: -7.327 where: short stacking energy: -7.327 Base-Backbone interact. energy: -0.073 local terms energy: -19.847379 where: bonds (distance) C4'-P energy: -3.744 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -3.038 flat angles P-C4'-P energy: -5.047 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: 10, replica: 2 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -28.970793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.970793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.970793 (E_RNA) where: Base-Base interactions energy: -6.808 where: short stacking energy: -6.808 Base-Backbone interact. energy: -1.169 local terms energy: -20.993847 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.350 flat angles P-C4'-P energy: -4.747 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: 1, replica: 4 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -42.849104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.849104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.849104 (E_RNA) where: Base-Base interactions energy: -14.974 where: short stacking energy: -14.974 Base-Backbone interact. energy: -0.001 local terms energy: -27.873574 where: bonds (distance) C4'-P energy: -3.222 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.953 flat angles P-C4'-P energy: -5.752 tors. eta vs tors. theta energy: -5.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -36.985508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.985508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.985508 (E_RNA) where: Base-Base interactions energy: -10.444 where: short stacking energy: -10.444 Base-Backbone interact. energy: -0.000 local terms energy: -26.541120 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -7.327 flat angles P-C4'-P energy: -3.912 tors. eta vs tors. theta energy: -2.720 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: 3, replica: 7 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -33.652042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.652042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.652042 (E_RNA) where: Base-Base interactions energy: -7.236 where: short stacking energy: -7.236 Base-Backbone interact. energy: -0.001 local terms energy: -26.415950 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.997 flat angles P-C4'-P energy: -3.982 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: 4, replica: 1 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -36.471389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.471389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.471389 (E_RNA) where: Base-Base interactions energy: -8.992 where: short stacking energy: -8.992 Base-Backbone interact. energy: -0.004 local terms energy: -27.475870 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -6.115 flat angles P-C4'-P energy: -5.398 tors. eta vs tors. theta energy: -2.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -38.914249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.914249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.914249 (E_RNA) where: Base-Base interactions energy: -10.925 where: short stacking energy: -10.925 Base-Backbone interact. energy: -0.044 local terms energy: -27.944767 where: bonds (distance) C4'-P energy: -5.558 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.153 flat angles P-C4'-P energy: -5.449 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: 6, replica: 3 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -30.944171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.944171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.944171 (E_RNA) where: Base-Base interactions energy: -5.739 where: short stacking energy: -5.739 Base-Backbone interact. energy: -0.154 local terms energy: -25.050956 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -5.699 flat angles P-C4'-P energy: -6.080 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: 7, replica: 5 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -30.143791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.143791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.143791 (E_RNA) where: Base-Base interactions energy: -4.247 where: short stacking energy: -3.686 Base-Backbone interact. energy: -0.002 local terms energy: -25.895116 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -4.673 flat angles P-C4'-P energy: -5.510 tors. eta vs tors. theta energy: -1.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -32.351219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.351219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.351219 (E_RNA) where: Base-Base interactions energy: -7.054 where: short stacking energy: -7.054 Base-Backbone interact. energy: -0.003 local terms energy: -25.294882 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -4.821 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: 2 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -29.709030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.709030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.709030 (E_RNA) where: Base-Base interactions energy: -7.143 where: short stacking energy: -7.143 Base-Backbone interact. energy: -0.008 local terms energy: -22.558565 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -7.054 flat angles C4'-P-C4' energy: -6.380 flat angles P-C4'-P energy: -3.690 tors. eta vs tors. theta energy: 0.629 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: 10, replica: 10 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -27.302696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.302696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.302696 (E_RNA) where: Base-Base interactions energy: -3.857 where: short stacking energy: -3.857 Base-Backbone interact. energy: -0.000 local terms energy: -23.445320 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.118 flat angles P-C4'-P energy: -4.108 tors. eta vs tors. theta energy: -0.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -38.168649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.168649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.168649 (E_RNA) where: Base-Base interactions energy: -10.631 where: short stacking energy: -10.631 Base-Backbone interact. energy: 0.147 local terms energy: -27.684549 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.796 flat angles P-C4'-P energy: -4.146 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: 2, replica: 7 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -32.984321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.984321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.984321 (E_RNA) where: Base-Base interactions energy: -7.878 where: short stacking energy: -7.878 Base-Backbone interact. energy: -0.183 local terms energy: -24.923247 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.213 flat angles C4'-P-C4' energy: -7.117 flat angles P-C4'-P energy: -4.760 tors. eta vs tors. theta energy: -0.274 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: 8 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -33.276314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.276314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.276314 (E_RNA) where: Base-Base interactions energy: -5.327 where: short stacking energy: -5.327 Base-Backbone interact. energy: -0.162 local terms energy: -27.787467 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -7.499 flat angles P-C4'-P energy: -4.649 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: 4, replica: 6 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -36.322616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.322616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.322616 (E_RNA) where: Base-Base interactions energy: -10.886 where: short stacking energy: -10.886 Base-Backbone interact. energy: -0.005 local terms energy: -25.431433 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -4.034 flat angles C4'-P-C4' energy: -5.530 flat angles P-C4'-P energy: -4.769 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: 5, replica: 1 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -33.542300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.542300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.542300 (E_RNA) where: Base-Base interactions energy: -8.587 where: short stacking energy: -8.687 Base-Backbone interact. energy: -0.184 local terms energy: -24.771753 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.863 flat angles P-C4'-P energy: -4.412 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: 6, replica: 5 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -33.134835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.134835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.134835 (E_RNA) where: Base-Base interactions energy: -7.222 where: short stacking energy: -7.222 Base-Backbone interact. energy: -0.005 local terms energy: -25.907526 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.410 flat angles P-C4'-P energy: -2.369 tors. eta vs tors. theta energy: -3.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -27.741484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.741484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.741484 (E_RNA) where: Base-Base interactions energy: -8.499 where: short stacking energy: -8.499 Base-Backbone interact. energy: -0.028 local terms energy: -19.214025 where: bonds (distance) C4'-P energy: -3.471 bonds (distance) P-C4' energy: -6.519 flat angles C4'-P-C4' energy: -6.362 flat angles P-C4'-P energy: -4.392 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: 8, replica: 2 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -30.971303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.971303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.971303 (E_RNA) where: Base-Base interactions energy: -9.292 where: short stacking energy: -9.292 Base-Backbone interact. energy: -0.125 local terms energy: -21.554365 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -3.878 flat angles P-C4'-P energy: -3.770 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: 9, replica: 9 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -27.492416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.492416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.492416 (E_RNA) where: Base-Base interactions energy: -8.292 where: short stacking energy: -8.292 Base-Backbone interact. energy: -0.000 local terms energy: -19.200610 where: bonds (distance) C4'-P energy: -5.877 bonds (distance) P-C4' energy: -5.976 flat angles C4'-P-C4' energy: -7.145 flat angles P-C4'-P energy: -1.297 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: 10, replica: 10 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -27.248620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.248620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.248620 (E_RNA) where: Base-Base interactions energy: -3.061 where: short stacking energy: -3.061 Base-Backbone interact. energy: -0.048 local terms energy: -24.140014 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -6.745 flat angles P-C4'-P energy: -4.263 tors. eta vs tors. theta energy: -1.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -40.526512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.526512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.526512 (E_RNA) where: Base-Base interactions energy: -11.621 where: short stacking energy: -11.621 Base-Backbone interact. energy: -0.028 local terms energy: -28.878008 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -6.911 flat angles P-C4'-P energy: -4.760 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: 2, replica: 4 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -39.323495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.323495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.323495 (E_RNA) where: Base-Base interactions energy: -13.023 where: short stacking energy: -13.023 Base-Backbone interact. energy: -0.000 local terms energy: -26.300028 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.638 flat angles P-C4'-P energy: -2.239 tors. eta vs tors. theta energy: -4.095 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: 6 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -37.301134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.301134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.301134 (E_RNA) where: Base-Base interactions energy: -10.449 where: short stacking energy: -10.449 Base-Backbone interact. energy: -0.101 local terms energy: -26.751668 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -4.564 flat angles P-C4'-P energy: -5.512 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: 4, replica: 8 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -37.661877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.661877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.661877 (E_RNA) where: Base-Base interactions energy: -11.227 where: short stacking energy: -11.227 Base-Backbone interact. energy: -0.101 local terms energy: -26.333703 where: bonds (distance) C4'-P energy: -5.840 bonds (distance) P-C4' energy: -6.143 flat angles C4'-P-C4' energy: -6.114 flat angles P-C4'-P energy: -4.186 tors. eta vs tors. theta energy: -4.051 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: 5, replica: 1 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -30.880294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.880294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.880294 (E_RNA) where: Base-Base interactions energy: -3.512 where: short stacking energy: -3.512 Base-Backbone interact. energy: -0.009 local terms energy: -27.359301 where: bonds (distance) C4'-P energy: -5.752 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.459 flat angles P-C4'-P energy: -4.227 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: 6, replica: 5 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -31.690518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.690518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.690518 (E_RNA) where: Base-Base interactions energy: -7.906 where: short stacking energy: -7.906 Base-Backbone interact. energy: -0.008 local terms energy: -23.776128 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -6.396 flat angles P-C4'-P energy: -3.860 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: 2 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -32.056864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.056864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.056864 (E_RNA) where: Base-Base interactions energy: -7.137 where: short stacking energy: -7.137 Base-Backbone interact. energy: -0.007 local terms energy: -24.913349 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -5.737 flat angles C4'-P-C4' energy: -7.046 flat angles P-C4'-P energy: -5.552 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: 8, replica: 3 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -31.069191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.069191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.069191 (E_RNA) where: Base-Base interactions energy: -8.749 where: short stacking energy: -8.749 Base-Backbone interact. energy: -0.000 local terms energy: -22.320260 where: bonds (distance) C4'-P energy: -5.401 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -3.996 flat angles P-C4'-P energy: -3.248 tors. eta vs tors. theta energy: -2.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -35.846487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.846487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.846487 (E_RNA) where: Base-Base interactions energy: -12.175 where: short stacking energy: -11.736 Base-Backbone interact. energy: -0.010 local terms energy: -23.661732 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -4.080 flat angles P-C4'-P energy: -5.383 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: 10, replica: 9 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -31.915855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.915855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.915855 (E_RNA) where: Base-Base interactions energy: -8.009 where: short stacking energy: -8.009 Base-Backbone interact. energy: -0.000 local terms energy: -23.907091 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -4.661 flat angles P-C4'-P energy: -2.990 tors. eta vs tors. theta energy: -2.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -40.351921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.351921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.351921 (E_RNA) where: Base-Base interactions energy: -14.926 where: short stacking energy: -14.901 Base-Backbone interact. energy: -0.021 local terms energy: -25.404934 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -4.599 flat angles C4'-P-C4' energy: -6.801 flat angles P-C4'-P energy: -5.433 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: 2, replica: 6 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -35.808185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.808185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.808185 (E_RNA) where: Base-Base interactions energy: -11.038 where: short stacking energy: -11.038 Base-Backbone interact. energy: -0.000 local terms energy: -24.770028 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.477 flat angles P-C4'-P energy: -2.876 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: 3, replica: 4 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -37.734001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.734001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.734001 (E_RNA) where: Base-Base interactions energy: -10.253 where: short stacking energy: -7.468 Base-Backbone interact. energy: -0.065 local terms energy: -27.416373 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -3.442 flat angles P-C4'-P energy: -3.397 tors. eta vs tors. theta energy: -6.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -31.866865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.866865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.866865 (E_RNA) where: Base-Base interactions energy: -5.664 where: short stacking energy: -5.664 Base-Backbone interact. energy: -0.024 local terms energy: -26.179432 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -4.671 flat angles P-C4'-P energy: -4.879 tors. eta vs tors. theta energy: -3.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -32.919653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.919653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.919653 (E_RNA) where: Base-Base interactions energy: -8.753 where: short stacking energy: -8.753 Base-Backbone interact. energy: -0.072 local terms energy: -24.094419 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.701 flat angles P-C4'-P energy: -3.475 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: 2 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -33.993907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.993907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.993907 (E_RNA) where: Base-Base interactions energy: -8.754 where: short stacking energy: -8.754 Base-Backbone interact. energy: -0.000 local terms energy: -25.239221 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -7.224 flat angles P-C4'-P energy: -3.027 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: 7, replica: 5 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -35.843570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.843570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.843570 (E_RNA) where: Base-Base interactions energy: -13.647 where: short stacking energy: -13.647 Base-Backbone interact. energy: -0.063 local terms energy: -22.133712 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -3.271 flat angles C4'-P-C4' energy: -5.253 flat angles P-C4'-P energy: -5.171 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: 8, replica: 3 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -34.464618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.464618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.464618 (E_RNA) where: Base-Base interactions energy: -12.738 where: short stacking energy: -12.738 Base-Backbone interact. energy: -0.048 local terms energy: -21.678064 where: bonds (distance) C4'-P energy: -4.456 bonds (distance) P-C4' energy: -6.085 flat angles C4'-P-C4' energy: -6.790 flat angles P-C4'-P energy: -1.906 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: 9, replica: 10 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -27.785976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.785976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.785976 (E_RNA) where: Base-Base interactions energy: -5.022 where: short stacking energy: -5.145 Base-Backbone interact. energy: -0.118 local terms energy: -22.646599 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -5.737 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: 10, replica: 9 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -28.543398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.543398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.543398 (E_RNA) where: Base-Base interactions energy: -7.027 where: short stacking energy: -7.027 Base-Backbone interact. energy: -0.027 local terms energy: -21.489827 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.331 flat angles P-C4'-P energy: -4.177 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: 1, replica: 6 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -45.543499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.543499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.543499 (E_RNA) where: Base-Base interactions energy: -15.732 where: short stacking energy: -15.613 Base-Backbone interact. energy: -0.027 local terms energy: -29.783900 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -5.106 flat angles P-C4'-P energy: -5.919 tors. eta vs tors. theta energy: -5.603 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: 7 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -38.354161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.354161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.354161 (E_RNA) where: Base-Base interactions energy: -14.180 where: short stacking energy: -14.180 Base-Backbone interact. energy: -0.013 local terms energy: -24.161950 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -3.227 flat angles C4'-P-C4' energy: -5.968 flat angles P-C4'-P energy: -4.662 tors. eta vs tors. theta energy: -4.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -41.546732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.546732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.546732 (E_RNA) where: Base-Base interactions energy: -15.092 where: short stacking energy: -15.092 Base-Backbone interact. energy: -0.083 local terms energy: -26.371705 where: bonds (distance) C4'-P energy: -4.039 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.478 flat angles P-C4'-P energy: -5.416 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: 4, replica: 4 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -40.777940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.777940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.777940 (E_RNA) where: Base-Base interactions energy: -11.589 where: short stacking energy: -11.589 Base-Backbone interact. energy: -0.000 local terms energy: -29.189209 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.846 flat angles P-C4'-P energy: -3.260 tors. eta vs tors. theta energy: -6.288 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: 5, replica: 2 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -35.069492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.069492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.069492 (E_RNA) where: Base-Base interactions energy: -6.581 where: short stacking energy: -6.581 Base-Backbone interact. energy: -0.000 local terms energy: -28.488953 where: bonds (distance) C4'-P energy: -5.607 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.591 flat angles P-C4'-P energy: -5.205 tors. eta vs tors. theta energy: -3.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -31.130345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.130345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.130345 (E_RNA) where: Base-Base interactions energy: -10.369 where: short stacking energy: -10.369 Base-Backbone interact. energy: -0.085 local terms energy: -20.676086 where: bonds (distance) C4'-P energy: -4.002 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -5.625 flat angles P-C4'-P energy: -1.366 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: 3 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -31.777125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.777125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.777125 (E_RNA) where: Base-Base interactions energy: -7.063 where: short stacking energy: -7.063 Base-Backbone interact. energy: -0.079 local terms energy: -24.634684 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -7.014 flat angles P-C4'-P energy: -3.722 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: 5 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -32.253796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.253796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.253796 (E_RNA) where: Base-Base interactions energy: -6.391 where: short stacking energy: -6.391 Base-Backbone interact. energy: -0.001 local terms energy: -25.861378 where: bonds (distance) C4'-P energy: -4.660 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -6.691 flat angles P-C4'-P energy: -5.152 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: 9, replica: 9 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -30.935865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.935865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.935865 (E_RNA) where: Base-Base interactions energy: -11.107 where: short stacking energy: -11.107 Base-Backbone interact. energy: -0.184 local terms energy: -19.644697 where: bonds (distance) C4'-P energy: -1.596 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.800 flat angles P-C4'-P energy: -3.911 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: 10 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -31.026078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.026078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.026078 (E_RNA) where: Base-Base interactions energy: -8.685 where: short stacking energy: -8.685 Base-Backbone interact. energy: -0.677 local terms energy: -21.663568 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.480 flat angles P-C4'-P energy: -3.417 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: 6 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -38.385104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.385104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.385104 (E_RNA) where: Base-Base interactions energy: -13.028 where: short stacking energy: -13.028 Base-Backbone interact. energy: -0.002 local terms energy: -25.354851 where: bonds (distance) C4'-P energy: -5.078 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -5.269 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: 2, replica: 1 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -41.193511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.193511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.193511 (E_RNA) where: Base-Base interactions energy: -12.086 where: short stacking energy: -12.086 Base-Backbone interact. energy: -0.964 local terms energy: -28.144405 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -6.143 flat angles P-C4'-P energy: -4.395 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: 3, replica: 7 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -36.182933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.182933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.182933 (E_RNA) where: Base-Base interactions energy: -9.770 where: short stacking energy: -9.770 Base-Backbone interact. energy: -0.004 local terms energy: -26.408795 where: bonds (distance) C4'-P energy: -6.125 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -4.894 flat angles P-C4'-P energy: -4.052 tors. eta vs tors. theta energy: -3.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -37.079607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.079607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.079607 (E_RNA) where: Base-Base interactions energy: -11.335 where: short stacking energy: -11.335 Base-Backbone interact. energy: -0.000 local terms energy: -25.743979 where: bonds (distance) C4'-P energy: -5.094 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.602 flat angles P-C4'-P energy: -4.000 tors. eta vs tors. theta energy: -3.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -33.560343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.560343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.560343 (E_RNA) where: Base-Base interactions energy: -8.625 where: short stacking energy: -8.625 Base-Backbone interact. energy: -0.014 local terms energy: -24.921381 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.075 flat angles C4'-P-C4' energy: -7.224 flat angles P-C4'-P energy: -3.986 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: 6, replica: 3 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -34.180164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.180164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.180164 (E_RNA) where: Base-Base interactions energy: -7.813 where: short stacking energy: -7.813 Base-Backbone interact. energy: -0.020 local terms energy: -26.347380 where: bonds (distance) C4'-P energy: -5.525 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.711 flat angles P-C4'-P energy: -5.948 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: 7, replica: 8 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -34.195158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.195158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.195158 (E_RNA) where: Base-Base interactions energy: -9.214 where: short stacking energy: -9.214 Base-Backbone interact. energy: -0.043 local terms energy: -24.938296 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.595 flat angles P-C4'-P energy: -2.844 tors. eta vs tors. theta energy: -1.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -28.779868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.779868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.779868 (E_RNA) where: Base-Base interactions energy: -7.650 where: short stacking energy: -7.650 Base-Backbone interact. energy: -0.003 local terms energy: -21.126523 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -6.251 flat angles P-C4'-P energy: -5.256 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: 9, replica: 5 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -30.309702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.309702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.309702 (E_RNA) where: Base-Base interactions energy: -7.605 where: short stacking energy: -7.605 Base-Backbone interact. energy: -0.101 local terms energy: -22.604469 where: bonds (distance) C4'-P energy: -5.625 bonds (distance) P-C4' energy: -6.087 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -5.234 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: 10, replica: 10 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -31.405304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.405304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.405304 (E_RNA) where: Base-Base interactions energy: -8.274 where: short stacking energy: -8.274 Base-Backbone interact. energy: -0.790 local terms energy: -22.340697 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -7.080 flat angles P-C4'-P energy: -2.854 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: 6 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -39.489827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.489827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.489827 (E_RNA) where: Base-Base interactions energy: -11.891 where: short stacking energy: -11.891 Base-Backbone interact. energy: -0.000 local terms energy: -27.599086 where: bonds (distance) C4'-P energy: -4.979 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.645 flat angles P-C4'-P energy: -4.417 tors. eta vs tors. theta energy: -4.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -37.936275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.936275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.936275 (E_RNA) where: Base-Base interactions energy: -11.431 where: short stacking energy: -11.431 Base-Backbone interact. energy: -0.147 local terms energy: -26.358578 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.491 flat angles P-C4'-P energy: -3.912 tors. eta vs tors. theta energy: -2.322 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: 7 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -37.558321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.558321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.558321 (E_RNA) where: Base-Base interactions energy: -10.741 where: short stacking energy: -10.741 Base-Backbone interact. energy: -0.074 local terms energy: -26.743259 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.129 flat angles P-C4'-P energy: -3.446 tors. eta vs tors. theta energy: -3.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -37.507588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.507588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.507588 (E_RNA) where: Base-Base interactions energy: -14.512 where: short stacking energy: -14.512 Base-Backbone interact. energy: -0.000 local terms energy: -22.995095 where: bonds (distance) C4'-P energy: -5.247 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -5.293 flat angles P-C4'-P energy: -2.833 tors. eta vs tors. theta energy: -3.681 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: 3 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -35.319191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.319191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.319191 (E_RNA) where: Base-Base interactions energy: -13.324 where: short stacking energy: -13.324 Base-Backbone interact. energy: 0.233 local terms energy: -22.228705 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -2.263 flat angles P-C4'-P energy: -4.455 tors. eta vs tors. theta energy: -2.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -36.051153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.051153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.051153 (E_RNA) where: Base-Base interactions energy: -9.697 where: short stacking energy: -9.697 Base-Backbone interact. energy: -0.001 local terms energy: -26.353569 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -6.388 flat angles P-C4'-P energy: -4.073 tors. eta vs tors. theta energy: -3.625 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: 8 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -35.122710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.122710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.122710 (E_RNA) where: Base-Base interactions energy: -12.512 where: short stacking energy: -12.512 Base-Backbone interact. energy: -0.000 local terms energy: -22.610489 where: bonds (distance) C4'-P energy: -5.782 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -4.757 flat angles P-C4'-P energy: -1.720 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: 8, replica: 9 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -29.405357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.405357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.405357 (E_RNA) where: Base-Base interactions energy: -7.221 where: short stacking energy: -7.221 Base-Backbone interact. energy: -0.070 local terms energy: -22.114084 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -6.653 flat angles P-C4'-P energy: -1.215 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: 9, replica: 10 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -28.549051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.549051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.549051 (E_RNA) where: Base-Base interactions energy: -4.834 where: short stacking energy: -4.834 Base-Backbone interact. energy: -0.259 local terms energy: -23.455939 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.210 flat angles P-C4'-P energy: -5.785 tors. eta vs tors. theta energy: 2.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -30.378539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.378539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.378539 (E_RNA) where: Base-Base interactions energy: -10.608 where: short stacking energy: -10.608 Base-Backbone interact. energy: -0.009 local terms energy: -19.761866 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -4.282 flat angles P-C4'-P energy: -4.119 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: 1, replica: 6 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -37.246239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.246239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.246239 (E_RNA) where: Base-Base interactions energy: -9.732 where: short stacking energy: -9.732 Base-Backbone interact. energy: -0.000 local terms energy: -27.513538 where: bonds (distance) C4'-P energy: -5.048 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.824 flat angles P-C4'-P energy: -5.516 tors. eta vs tors. theta energy: -3.820 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: 7 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -42.873263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.873263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.873263 (E_RNA) where: Base-Base interactions energy: -15.578 where: short stacking energy: -15.578 Base-Backbone interact. energy: -0.000 local terms energy: -27.294519 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -5.367 flat angles C4'-P-C4' energy: -5.150 flat angles P-C4'-P energy: -5.774 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: 1 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -38.858610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.858610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.858610 (E_RNA) where: Base-Base interactions energy: -11.195 where: short stacking energy: -11.195 Base-Backbone interact. energy: -0.049 local terms energy: -27.614041 where: bonds (distance) C4'-P energy: -4.784 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -7.149 flat angles P-C4'-P energy: -4.868 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: 4 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -33.619228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.619228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.619228 (E_RNA) where: Base-Base interactions energy: -9.642 where: short stacking energy: -9.642 Base-Backbone interact. energy: -0.177 local terms energy: -23.800188 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -6.501 flat angles C4'-P-C4' energy: -5.316 flat angles P-C4'-P energy: -4.252 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: 5, replica: 3 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -33.829062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.829062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.829062 (E_RNA) where: Base-Base interactions energy: -7.468 where: short stacking energy: -7.468 Base-Backbone interact. energy: -0.040 local terms energy: -26.320820 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -4.272 flat angles P-C4'-P energy: -3.973 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: 6, replica: 8 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -33.703568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.703568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.703568 (E_RNA) where: Base-Base interactions energy: -6.664 where: short stacking energy: -6.204 Base-Backbone interact. energy: -0.166 local terms energy: -26.873481 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.276 flat angles P-C4'-P energy: -5.565 tors. eta vs tors. theta energy: -2.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -34.907875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.907875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.907875 (E_RNA) where: Base-Base interactions energy: -11.178 where: short stacking energy: -11.178 Base-Backbone interact. energy: -0.048 local terms energy: -23.682274 where: bonds (distance) C4'-P energy: -6.089 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -4.545 flat angles P-C4'-P energy: -4.570 tors. eta vs tors. theta energy: -2.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -26.950030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.950030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.950030 (E_RNA) where: Base-Base interactions energy: -7.466 where: short stacking energy: -7.466 Base-Backbone interact. energy: -0.053 local terms energy: -19.431324 where: bonds (distance) C4'-P energy: -5.193 bonds (distance) P-C4' energy: -7.010 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -3.455 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: 10 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -30.182385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.182385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.182385 (E_RNA) where: Base-Base interactions energy: -7.905 where: short stacking energy: -7.905 Base-Backbone interact. energy: -0.007 local terms energy: -22.270223 where: bonds (distance) C4'-P energy: -5.619 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.913 flat angles P-C4'-P energy: -3.678 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: 10, replica: 5 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -27.991708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.991708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.991708 (E_RNA) where: Base-Base interactions energy: -4.947 where: short stacking energy: -3.344 Base-Backbone interact. energy: -0.096 local terms energy: -22.948345 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -3.408 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: 7 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -39.182722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.182722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.182722 (E_RNA) where: Base-Base interactions energy: -10.120 where: short stacking energy: -10.120 Base-Backbone interact. energy: -0.001 local terms energy: -29.062120 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.748 flat angles P-C4'-P energy: -5.068 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: 2, replica: 6 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -37.340796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.340796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.340796 (E_RNA) where: Base-Base interactions energy: -10.111 where: short stacking energy: -10.111 Base-Backbone interact. energy: -0.004 local terms energy: -27.225924 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -7.532 flat angles P-C4'-P energy: -3.070 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: 3, replica: 4 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -38.385244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.385244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.385244 (E_RNA) where: Base-Base interactions energy: -9.606 where: short stacking energy: -9.606 Base-Backbone interact. energy: -0.001 local terms energy: -28.777608 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.899 flat angles P-C4'-P energy: -3.457 tors. eta vs tors. theta energy: -5.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -37.165616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.165616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.165616 (E_RNA) where: Base-Base interactions energy: -7.381 where: short stacking energy: -7.381 Base-Backbone interact. energy: -0.088 local terms energy: -29.696035 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.037 flat angles P-C4'-P energy: -3.979 tors. eta vs tors. theta energy: -4.912 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: 8 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -36.723187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.723187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.723187 (E_RNA) where: Base-Base interactions energy: -13.359 where: short stacking energy: -13.359 Base-Backbone interact. energy: -0.479 local terms energy: -22.884982 where: bonds (distance) C4'-P energy: -3.984 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.442 flat angles P-C4'-P energy: -4.466 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: 6, replica: 3 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -28.908186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.908186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.908186 (E_RNA) where: Base-Base interactions energy: -6.989 where: short stacking energy: -6.989 Base-Backbone interact. energy: -0.002 local terms energy: -21.916976 where: bonds (distance) C4'-P energy: -5.186 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -6.058 flat angles P-C4'-P energy: -5.000 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: 7, replica: 9 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -29.173339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.173339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.173339 (E_RNA) where: Base-Base interactions energy: -3.286 where: short stacking energy: -3.286 Base-Backbone interact. energy: -0.001 local terms energy: -25.886608 where: bonds (distance) C4'-P energy: -6.596 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.365 flat angles P-C4'-P energy: -4.402 tors. eta vs tors. theta energy: -1.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -32.652278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.652278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.652278 (E_RNA) where: Base-Base interactions energy: -8.844 where: short stacking energy: -8.844 Base-Backbone interact. energy: -0.093 local terms energy: -23.715150 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -5.456 flat angles P-C4'-P energy: -3.364 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: 9, replica: 5 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -33.007532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.007532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.007532 (E_RNA) where: Base-Base interactions energy: -10.388 where: short stacking energy: -10.388 Base-Backbone interact. energy: -0.000 local terms energy: -22.619600 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -5.945 flat angles P-C4'-P energy: -2.307 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: 10 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -31.651680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.651680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.651680 (E_RNA) where: Base-Base interactions energy: -8.717 where: short stacking energy: -8.717 Base-Backbone interact. energy: -0.000 local terms energy: -22.934561 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -5.131 flat angles C4'-P-C4' energy: -7.273 flat angles P-C4'-P energy: -2.909 tors. eta vs tors. theta energy: -1.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -37.948283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.948283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.948283 (E_RNA) where: Base-Base interactions energy: -7.211 where: short stacking energy: -7.211 Base-Backbone interact. energy: -0.001 local terms energy: -30.736538 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -7.446 flat angles P-C4'-P energy: -5.323 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: 2, replica: 4 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -39.390698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.390698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.390698 (E_RNA) where: Base-Base interactions energy: -11.249 where: short stacking energy: -11.249 Base-Backbone interact. energy: -0.000 local terms energy: -28.141699 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.549 flat angles P-C4'-P energy: -4.267 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: 6 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -32.408104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.408104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.408104 (E_RNA) where: Base-Base interactions energy: -7.833 where: short stacking energy: -7.833 Base-Backbone interact. energy: -0.162 local terms energy: -24.412961 where: bonds (distance) C4'-P energy: -5.927 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -5.927 flat angles P-C4'-P energy: -3.134 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: 4, replica: 8 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -43.161632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.161632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.161632 (E_RNA) where: Base-Base interactions energy: -13.455 where: short stacking energy: -13.455 Base-Backbone interact. energy: -0.000 local terms energy: -29.706397 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.404 flat angles P-C4'-P energy: -5.224 tors. eta vs tors. theta energy: -5.435 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: 1 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -31.762948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.762948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.762948 (E_RNA) where: Base-Base interactions energy: -9.242 where: short stacking energy: -7.585 Base-Backbone interact. energy: -0.002 local terms energy: -22.519138 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.608 flat angles P-C4'-P energy: -4.918 tors. eta vs tors. theta energy: 0.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -29.643245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.643245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.643245 (E_RNA) where: Base-Base interactions energy: -7.102 where: short stacking energy: -7.102 Base-Backbone interact. energy: -0.003 local terms energy: -22.538918 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -5.035 flat angles C4'-P-C4' energy: -5.810 flat angles P-C4'-P energy: -1.910 tors. eta vs tors. theta energy: -3.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -34.141153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.141153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.141153 (E_RNA) where: Base-Base interactions energy: -7.453 where: short stacking energy: -7.453 Base-Backbone interact. energy: -0.092 local terms energy: -26.595633 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -5.638 flat angles P-C4'-P energy: -5.430 tors. eta vs tors. theta energy: -2.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -32.106414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.106414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.106414 (E_RNA) where: Base-Base interactions energy: -4.178 where: short stacking energy: -4.507 Base-Backbone interact. energy: -1.106 local terms energy: -26.821960 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.005 flat angles P-C4'-P energy: -6.385 tors. eta vs tors. theta energy: 0.266 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: 2 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -30.431143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.431143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.431143 (E_RNA) where: Base-Base interactions energy: -7.954 where: short stacking energy: -7.954 Base-Backbone interact. energy: 0.484 local terms energy: -22.961301 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -4.505 flat angles C4'-P-C4' energy: -6.391 flat angles P-C4'-P energy: -2.448 tors. eta vs tors. theta energy: -3.406 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: 10 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -24.823530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.823530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.823530 (E_RNA) where: Base-Base interactions energy: -3.727 where: short stacking energy: -3.074 Base-Backbone interact. energy: -0.095 local terms energy: -21.001637 where: bonds (distance) C4'-P energy: -5.085 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.217 flat angles P-C4'-P energy: -4.312 tors. eta vs tors. theta energy: 2.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -39.473445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.473445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.473445 (E_RNA) where: Base-Base interactions energy: -10.384 where: short stacking energy: -10.384 Base-Backbone interact. energy: -0.010 local terms energy: -29.079575 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.945 flat angles P-C4'-P energy: -5.974 tors. eta vs tors. theta energy: -2.952 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: 7 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -41.254576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.254576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.254576 (E_RNA) where: Base-Base interactions energy: -13.308 where: short stacking energy: -13.308 Base-Backbone interact. energy: -0.019 local terms energy: -27.928040 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.847 flat angles P-C4'-P energy: -4.810 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: 8 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -37.409436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.409436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.409436 (E_RNA) where: Base-Base interactions energy: -12.006 where: short stacking energy: -12.006 Base-Backbone interact. energy: -0.081 local terms energy: -25.322454 where: bonds (distance) C4'-P energy: -5.094 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -6.987 flat angles P-C4'-P energy: -5.756 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: 4, replica: 6 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -37.029494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.029494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.029494 (E_RNA) where: Base-Base interactions energy: -10.522 where: short stacking energy: -10.522 Base-Backbone interact. energy: -0.074 local terms energy: -26.433307 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -6.341 flat angles P-C4'-P energy: -4.364 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: 5, replica: 9 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -36.211628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.211628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.211628 (E_RNA) where: Base-Base interactions energy: -7.750 where: short stacking energy: -7.750 Base-Backbone interact. energy: 0.059 local terms energy: -28.520167 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -5.565 tors. eta vs tors. theta energy: -3.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -34.991136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.991136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.991136 (E_RNA) where: Base-Base interactions energy: -7.871 where: short stacking energy: -7.871 Base-Backbone interact. energy: -0.018 local terms energy: -27.101719 where: bonds (distance) C4'-P energy: -6.291 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.337 flat angles P-C4'-P energy: -4.641 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: 7, replica: 5 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -36.621009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.621009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.621009 (E_RNA) where: Base-Base interactions energy: -10.160 where: short stacking energy: -10.160 Base-Backbone interact. energy: -0.068 local terms energy: -26.392904 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -3.532 tors. eta vs tors. theta energy: -4.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -31.953552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.953552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.953552 (E_RNA) where: Base-Base interactions energy: -8.115 where: short stacking energy: -8.115 Base-Backbone interact. energy: -0.000 local terms energy: -23.838565 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -6.824 flat angles P-C4'-P energy: -5.454 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: 10 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -25.899150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.899150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.899150 (E_RNA) where: Base-Base interactions energy: -3.000 where: short stacking energy: -3.000 Base-Backbone interact. energy: -0.032 local terms energy: -22.866340 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.131 flat angles P-C4'-P energy: -4.383 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: 10, replica: 2 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -28.343321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.343321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.343321 (E_RNA) where: Base-Base interactions energy: -5.243 where: short stacking energy: -5.243 Base-Backbone interact. energy: -0.022 local terms energy: -23.078587 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -5.801 flat angles C4'-P-C4' energy: -3.508 flat angles P-C4'-P energy: -4.299 tors. eta vs tors. theta energy: -3.042 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: 379 Temperature: 0.900000 Total energy: -41.002596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.002596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.002596 (E_RNA) where: Base-Base interactions energy: -12.058 where: short stacking energy: -12.058 Base-Backbone interact. energy: -0.001 local terms energy: -28.943837 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -6.794 flat angles P-C4'-P energy: -4.581 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: 8 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -35.951365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.951365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.951365 (E_RNA) where: Base-Base interactions energy: -8.589 where: short stacking energy: -8.589 Base-Backbone interact. energy: -0.100 local terms energy: -27.262426 where: bonds (distance) C4'-P energy: -5.193 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.866 flat angles P-C4'-P energy: -5.692 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: 3, replica: 7 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -34.703222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.703222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.703222 (E_RNA) where: Base-Base interactions energy: -7.770 where: short stacking energy: -7.770 Base-Backbone interact. energy: -0.094 local terms energy: -26.839076 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.220 flat angles P-C4'-P energy: -5.455 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: 4, replica: 9 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -36.368880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.368880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.368880 (E_RNA) where: Base-Base interactions energy: -11.258 where: short stacking energy: -11.258 Base-Backbone interact. energy: -0.000 local terms energy: -25.110615 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.280 flat angles P-C4'-P energy: -4.769 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: 5, replica: 6 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -33.886414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.886414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.886414 (E_RNA) where: Base-Base interactions energy: -10.803 where: short stacking energy: -10.803 Base-Backbone interact. energy: -0.078 local terms energy: -23.005657 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.009 flat angles P-C4'-P energy: -3.506 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: 6, replica: 5 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -33.463740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.463740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.463740 (E_RNA) where: Base-Base interactions energy: -8.335 where: short stacking energy: -8.335 Base-Backbone interact. energy: -0.085 local terms energy: -25.043991 where: bonds (distance) C4'-P energy: -5.451 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -6.865 flat angles P-C4'-P energy: -5.066 tors. eta vs tors. theta energy: 0.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -33.567370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.567370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.567370 (E_RNA) where: Base-Base interactions energy: -11.505 where: short stacking energy: -11.505 Base-Backbone interact. energy: -0.001 local terms energy: -22.061800 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -1.691 tors. eta vs tors. theta energy: -2.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -31.975078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.975078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.975078 (E_RNA) where: Base-Base interactions energy: -8.553 where: short stacking energy: -7.021 Base-Backbone interact. energy: -0.009 local terms energy: -23.412219 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -4.170 flat angles C4'-P-C4' energy: -6.139 flat angles P-C4'-P energy: -4.580 tors. eta vs tors. theta energy: -1.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -29.285446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.285446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.285446 (E_RNA) where: Base-Base interactions energy: -5.687 where: short stacking energy: -5.687 Base-Backbone interact. energy: -0.002 local terms energy: -23.597134 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -6.833 flat angles P-C4'-P energy: -5.711 tors. eta vs tors. theta energy: -1.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -32.038272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.038272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.038272 (E_RNA) where: Base-Base interactions energy: -7.507 where: short stacking energy: -7.507 Base-Backbone interact. energy: -0.020 local terms energy: -24.510929 where: bonds (distance) C4'-P energy: -4.652 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -5.968 flat angles P-C4'-P energy: -4.565 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: 1, replica: 4 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -33.751258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.751258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.751258 (E_RNA) where: Base-Base interactions energy: -9.163 where: short stacking energy: -9.163 Base-Backbone interact. energy: -0.017 local terms energy: -24.571095 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.693 flat angles P-C4'-P energy: -2.692 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: 2, replica: 8 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -35.880850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.880850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.880850 (E_RNA) where: Base-Base interactions energy: -14.593 where: short stacking energy: -14.593 Base-Backbone interact. energy: -0.101 local terms energy: -21.186168 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -2.981 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: 3, replica: 9 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -34.240320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.240320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.240320 (E_RNA) where: Base-Base interactions energy: -9.512 where: short stacking energy: -9.527 Base-Backbone interact. energy: -0.085 local terms energy: -24.642980 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -2.130 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: 4, replica: 7 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -34.752236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.752236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.752236 (E_RNA) where: Base-Base interactions energy: -9.249 where: short stacking energy: -9.249 Base-Backbone interact. energy: -0.000 local terms energy: -25.502818 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -4.205 flat angles P-C4'-P energy: -2.618 tors. eta vs tors. theta energy: -4.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -31.133908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.133908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.133908 (E_RNA) where: Base-Base interactions energy: -7.927 where: short stacking energy: -7.927 Base-Backbone interact. energy: -0.002 local terms energy: -23.204342 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.464 flat angles P-C4'-P energy: -5.247 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: 6, replica: 6 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -33.302100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.302100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.302100 (E_RNA) where: Base-Base interactions energy: -8.275 where: short stacking energy: -8.275 Base-Backbone interact. energy: -0.034 local terms energy: -24.993508 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -5.538 flat angles C4'-P-C4' energy: -7.572 flat angles P-C4'-P energy: -3.077 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: 7, replica: 10 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -29.876705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.876705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.876705 (E_RNA) where: Base-Base interactions energy: -7.947 where: short stacking energy: -7.947 Base-Backbone interact. energy: -0.008 local terms energy: -21.922533 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -3.022 flat angles P-C4'-P energy: -1.396 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: 8, replica: 1 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -33.498309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.498309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.498309 (E_RNA) where: Base-Base interactions energy: -11.311 where: short stacking energy: -11.311 Base-Backbone interact. energy: -0.065 local terms energy: -22.121702 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.566 flat angles C4'-P-C4' energy: -6.687 flat angles P-C4'-P energy: -2.418 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: 9, replica: 2 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -30.795563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.795563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.795563 (E_RNA) where: Base-Base interactions energy: -7.961 where: short stacking energy: -7.961 Base-Backbone interact. energy: -0.001 local terms energy: -22.834068 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -6.869 flat angles P-C4'-P energy: -1.762 tors. eta vs tors. theta energy: -2.630 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: 3 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -27.130772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.130772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.130772 (E_RNA) where: Base-Base interactions energy: -2.614 where: short stacking energy: -2.614 Base-Backbone interact. energy: -0.000 local terms energy: -24.516843 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.562 flat angles C4'-P-C4' energy: -4.933 flat angles P-C4'-P energy: -3.587 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: 1, replica: 4 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -35.195980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.195980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.195980 (E_RNA) where: Base-Base interactions energy: -9.204 where: short stacking energy: -9.204 Base-Backbone interact. energy: -0.000 local terms energy: -25.991752 where: bonds (distance) C4'-P energy: -4.884 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.596 flat angles P-C4'-P energy: -3.798 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: 2, replica: 9 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -35.085549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.085549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.085549 (E_RNA) where: Base-Base interactions energy: -14.314 where: short stacking energy: -14.314 Base-Backbone interact. energy: -0.016 local terms energy: -20.756165 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -4.829 flat angles C4'-P-C4' energy: -5.513 flat angles P-C4'-P energy: -2.431 tors. eta vs tors. theta energy: -1.519 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: 8 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -36.605737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.605737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.605737 (E_RNA) where: Base-Base interactions energy: -10.089 where: short stacking energy: -10.089 Base-Backbone interact. energy: -1.038 local terms energy: -25.479402 where: bonds (distance) C4'-P energy: -6.151 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.868 flat angles P-C4'-P energy: -3.845 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: 4, replica: 5 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -35.438569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.438569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.438569 (E_RNA) where: Base-Base interactions energy: -10.799 where: short stacking energy: -10.799 Base-Backbone interact. energy: -0.000 local terms energy: -24.639056 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -5.688 flat angles C4'-P-C4' energy: -5.678 flat angles P-C4'-P energy: -4.251 tors. eta vs tors. theta energy: -2.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -30.198357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.198357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.198357 (E_RNA) where: Base-Base interactions energy: -6.541 where: short stacking energy: -6.541 Base-Backbone interact. energy: -0.245 local terms energy: -23.412446 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.088 flat angles P-C4'-P energy: -3.873 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: 6, replica: 10 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -30.777221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.777221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.777221 (E_RNA) where: Base-Base interactions energy: -4.145 where: short stacking energy: -4.145 Base-Backbone interact. energy: -0.004 local terms energy: -26.628742 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -7.284 flat angles P-C4'-P energy: -3.770 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: 7, replica: 6 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -30.529050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.529050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.529050 (E_RNA) where: Base-Base interactions energy: -8.201 where: short stacking energy: -7.648 Base-Backbone interact. energy: -0.470 local terms energy: -21.857387 where: bonds (distance) C4'-P energy: -4.838 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -4.733 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: 8, replica: 2 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -31.869976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.869976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.869976 (E_RNA) where: Base-Base interactions energy: -6.494 where: short stacking energy: -6.494 Base-Backbone interact. energy: -0.001 local terms energy: -25.375488 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.810 flat angles P-C4'-P energy: -5.816 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: 9, replica: 1 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -37.398731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.398731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.398731 (E_RNA) where: Base-Base interactions energy: -10.541 where: short stacking energy: -10.541 Base-Backbone interact. energy: -0.001 local terms energy: -26.857346 where: bonds (distance) C4'-P energy: -5.889 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -4.491 flat angles P-C4'-P energy: -6.118 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: 10, replica: 3 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -31.704598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.704598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.704598 (E_RNA) where: Base-Base interactions energy: -11.186 where: short stacking energy: -11.186 Base-Backbone interact. energy: -0.002 local terms energy: -20.516360 where: bonds (distance) C4'-P energy: -5.247 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -4.143 flat angles P-C4'-P energy: -2.035 tors. eta vs tors. theta energy: -1.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -35.528381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.528381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.528381 (E_RNA) where: Base-Base interactions energy: -11.747 where: short stacking energy: -11.747 Base-Backbone interact. energy: -0.119 local terms energy: -23.662336 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -6.094 flat angles P-C4'-P energy: -5.354 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: 2, replica: 4 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -39.133059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.133059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.133059 (E_RNA) where: Base-Base interactions energy: -12.823 where: short stacking energy: -11.001 Base-Backbone interact. energy: -0.001 local terms energy: -26.309044 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.038 flat angles P-C4'-P energy: -2.659 tors. eta vs tors. theta energy: -3.105 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: 3, replica: 5 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -35.807251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.807251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.807251 (E_RNA) where: Base-Base interactions energy: -8.032 where: short stacking energy: -8.032 Base-Backbone interact. energy: -0.000 local terms energy: -27.774764 where: bonds (distance) C4'-P energy: -5.218 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -6.529 flat angles P-C4'-P energy: -5.802 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: 8 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -32.671580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.671580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.671580 (E_RNA) where: Base-Base interactions energy: -9.603 where: short stacking energy: -9.603 Base-Backbone interact. energy: -0.002 local terms energy: -23.066710 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -6.797 flat angles P-C4'-P energy: -2.668 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: 5, replica: 10 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -33.407623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.407623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.407623 (E_RNA) where: Base-Base interactions energy: -5.541 where: short stacking energy: -5.541 Base-Backbone interact. energy: -0.006 local terms energy: -27.860344 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -6.998 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -6.144 tors. eta vs tors. theta energy: -2.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -31.786186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.786186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.786186 (E_RNA) where: Base-Base interactions energy: -8.153 where: short stacking energy: -8.153 Base-Backbone interact. energy: -0.001 local terms energy: -23.632120 where: bonds (distance) C4'-P energy: -5.227 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.618 flat angles P-C4'-P energy: -1.171 tors. eta vs tors. theta energy: -3.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -29.820252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.820252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.820252 (E_RNA) where: Base-Base interactions energy: -8.161 where: short stacking energy: -8.161 Base-Backbone interact. energy: 0.783 local terms energy: -22.442458 where: bonds (distance) C4'-P energy: -4.942 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -4.247 flat angles P-C4'-P energy: -4.370 tors. eta vs tors. theta energy: -1.526 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: 6 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -29.837624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.837624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.837624 (E_RNA) where: Base-Base interactions energy: -4.344 where: short stacking energy: -4.344 Base-Backbone interact. energy: -0.065 local terms energy: -25.428654 where: bonds (distance) C4'-P energy: -4.676 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.360 flat angles P-C4'-P energy: -3.735 tors. eta vs tors. theta energy: -2.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -32.937843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.937843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.937843 (E_RNA) where: Base-Base interactions energy: -6.210 where: short stacking energy: -6.210 Base-Backbone interact. energy: -0.070 local terms energy: -26.657628 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.923 flat angles P-C4'-P energy: -5.318 tors. eta vs tors. theta energy: -0.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -31.554607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.554607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.554607 (E_RNA) where: Base-Base interactions energy: -8.330 where: short stacking energy: -8.330 Base-Backbone interact. energy: -0.070 local terms energy: -23.154884 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -4.366 flat angles P-C4'-P energy: -3.023 tors. eta vs tors. theta energy: -2.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -41.546935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.546935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.546935 (E_RNA) where: Base-Base interactions energy: -15.307 where: short stacking energy: -15.307 Base-Backbone interact. energy: -0.019 local terms energy: -26.221315 where: bonds (distance) C4'-P energy: -3.835 bonds (distance) P-C4' energy: -6.526 flat angles C4'-P-C4' energy: -7.187 flat angles P-C4'-P energy: -4.008 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: 4 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -40.806309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.806309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.806309 (E_RNA) where: Base-Base interactions energy: -12.530 where: short stacking energy: -12.530 Base-Backbone interact. energy: -0.000 local terms energy: -28.275872 where: bonds (distance) C4'-P energy: -6.125 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.161 flat angles P-C4'-P energy: -3.737 tors. eta vs tors. theta energy: -5.162 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: 5 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -39.527832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.527832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.527832 (E_RNA) where: Base-Base interactions energy: -10.019 where: short stacking energy: -10.019 Base-Backbone interact. energy: -0.001 local terms energy: -29.508220 where: bonds (distance) C4'-P energy: -6.588 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -6.464 flat angles P-C4'-P energy: -3.159 tors. eta vs tors. theta energy: -5.784 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: 8 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -37.411992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.411992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.411992 (E_RNA) where: Base-Base interactions energy: -9.595 where: short stacking energy: -9.595 Base-Backbone interact. energy: -0.000 local terms energy: -27.817030 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -3.928 flat angles P-C4'-P energy: -5.607 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: 5, replica: 10 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -33.651171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.651171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.651171 (E_RNA) where: Base-Base interactions energy: -12.604 where: short stacking energy: -12.604 Base-Backbone interact. energy: -0.001 local terms energy: -21.046945 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.563 flat angles P-C4'-P energy: -2.634 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: 6, replica: 2 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -34.580320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.580320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.580320 (E_RNA) where: Base-Base interactions energy: -15.169 where: short stacking energy: -15.169 Base-Backbone interact. energy: -0.113 local terms energy: -19.298481 where: bonds (distance) C4'-P energy: -4.237 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -5.177 flat angles P-C4'-P energy: -2.070 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: 7, replica: 7 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -28.816500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.816500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.816500 (E_RNA) where: Base-Base interactions energy: -10.006 where: short stacking energy: -10.306 Base-Backbone interact. energy: -0.004 local terms energy: -18.807381 where: bonds (distance) C4'-P energy: -6.100 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -3.637 flat angles P-C4'-P energy: -3.499 tors. eta vs tors. theta energy: 1.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -31.604620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.604620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.604620 (E_RNA) where: Base-Base interactions energy: -8.382 where: short stacking energy: -8.382 Base-Backbone interact. energy: -0.011 local terms energy: -23.212106 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -3.203 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: 9, replica: 6 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -32.676762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.676762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.676762 (E_RNA) where: Base-Base interactions energy: -9.535 where: short stacking energy: -9.621 Base-Backbone interact. energy: -0.001 local terms energy: -23.140775 where: bonds (distance) C4'-P energy: -4.845 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -3.910 flat angles P-C4'-P energy: -3.698 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: 10, replica: 3 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -29.522292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.522292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.522292 (E_RNA) where: Base-Base interactions energy: -5.884 where: short stacking energy: -5.884 Base-Backbone interact. energy: -0.107 local terms energy: -23.531706 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -3.373 flat angles P-C4'-P energy: -5.288 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: 1, replica: 4 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -41.446587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.446587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.446587 (E_RNA) where: Base-Base interactions energy: -12.527 where: short stacking energy: -12.527 Base-Backbone interact. energy: -0.072 local terms energy: -28.848009 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.979 flat angles P-C4'-P energy: -4.962 tors. eta vs tors. theta energy: -3.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -37.472701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.472701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.472701 (E_RNA) where: Base-Base interactions energy: -13.676 where: short stacking energy: -11.901 Base-Backbone interact. energy: -0.008 local terms energy: -23.787987 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.863 flat angles P-C4'-P energy: -4.758 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: 3, replica: 8 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -35.092394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.092394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.092394 (E_RNA) where: Base-Base interactions energy: -10.340 where: short stacking energy: -10.340 Base-Backbone interact. energy: -0.014 local terms energy: -24.738279 where: bonds (distance) C4'-P energy: -1.758 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -7.447 flat angles P-C4'-P energy: -3.475 tors. eta vs tors. theta energy: -4.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -35.482882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.482882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.482882 (E_RNA) where: Base-Base interactions energy: -6.936 where: short stacking energy: -6.936 Base-Backbone interact. energy: -0.053 local terms energy: -28.493384 where: bonds (distance) C4'-P energy: -6.924 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.102 flat angles P-C4'-P energy: -4.581 tors. eta vs tors. theta energy: -3.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -38.027580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.027580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.027580 (E_RNA) where: Base-Base interactions energy: -10.169 where: short stacking energy: -10.169 Base-Backbone interact. energy: -0.001 local terms energy: -27.858467 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.806 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -3.428 tors. eta vs tors. theta energy: -3.719 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: 6, replica: 10 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -30.559334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.559334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.559334 (E_RNA) where: Base-Base interactions energy: -4.435 where: short stacking energy: -4.435 Base-Backbone interact. energy: -0.044 local terms energy: -26.079765 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -5.574 flat angles P-C4'-P energy: -4.796 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: 384 Temperature: 1.200000 Total energy: -31.717823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.717823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.717823 (E_RNA) where: Base-Base interactions energy: -7.803 where: short stacking energy: -7.803 Base-Backbone interact. energy: -0.001 local terms energy: -23.913519 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.052 flat angles P-C4'-P energy: -0.722 tors. eta vs tors. theta energy: -2.900 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: 8, replica: 7 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -30.743328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.743328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.743328 (E_RNA) where: Base-Base interactions energy: -8.086 where: short stacking energy: -8.086 Base-Backbone interact. energy: -0.006 local terms energy: -22.651425 where: bonds (distance) C4'-P energy: -2.805 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -6.236 flat angles P-C4'-P energy: -4.889 tors. eta vs tors. theta energy: -2.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -29.038435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.038435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.038435 (E_RNA) where: Base-Base interactions energy: -7.086 where: short stacking energy: -7.086 Base-Backbone interact. energy: -0.100 local terms energy: -21.852907 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -6.144 flat angles P-C4'-P energy: -2.502 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: 10, replica: 3 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -27.790654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.790654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.790654 (E_RNA) where: Base-Base interactions energy: -5.154 where: short stacking energy: -5.154 Base-Backbone interact. energy: -0.384 local terms energy: -22.251827 where: bonds (distance) C4'-P energy: -5.612 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -2.068 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: 1, replica: 4 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -44.242783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.242783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.242783 (E_RNA) where: Base-Base interactions energy: -14.803 where: short stacking energy: -14.803 Base-Backbone interact. energy: -0.000 local terms energy: -29.439937 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.525 flat angles P-C4'-P energy: -3.472 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: 2, replica: 9 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -35.651816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.651816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.651816 (E_RNA) where: Base-Base interactions energy: -10.840 where: short stacking energy: -10.840 Base-Backbone interact. energy: -0.032 local terms energy: -24.780198 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -6.520 flat angles P-C4'-P energy: -5.851 tors. eta vs tors. theta energy: -0.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -37.489707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.489707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.489707 (E_RNA) where: Base-Base interactions energy: -9.781 where: short stacking energy: -9.781 Base-Backbone interact. energy: -0.000 local terms energy: -27.708024 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -7.431 flat angles P-C4'-P energy: -2.378 tors. eta vs tors. theta energy: -5.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -33.841065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.841065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.841065 (E_RNA) where: Base-Base interactions energy: -7.760 where: short stacking energy: -7.760 Base-Backbone interact. energy: -0.000 local terms energy: -26.080621 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -6.304 flat angles P-C4'-P energy: -4.485 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: 5, replica: 5 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -32.767233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.767233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.767233 (E_RNA) where: Base-Base interactions energy: -8.012 where: short stacking energy: -8.012 Base-Backbone interact. energy: 0.094 local terms energy: -24.849303 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -5.124 flat angles P-C4'-P energy: -3.762 tors. eta vs tors. theta energy: -2.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -33.810712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.810712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.810712 (E_RNA) where: Base-Base interactions energy: -8.485 where: short stacking energy: -8.485 Base-Backbone interact. energy: -0.001 local terms energy: -25.325341 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: -5.143 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: 7, replica: 10 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -34.201438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.201438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.201438 (E_RNA) where: Base-Base interactions energy: -13.015 where: short stacking energy: -13.015 Base-Backbone interact. energy: -0.005 local terms energy: -21.181090 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -3.666 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -2.628 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: 8, replica: 6 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -32.630443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.630443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.630443 (E_RNA) where: Base-Base interactions energy: -10.770 where: short stacking energy: -10.770 Base-Backbone interact. energy: -0.002 local terms energy: -21.858736 where: bonds (distance) C4'-P energy: -5.369 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -4.563 flat angles P-C4'-P energy: -4.419 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: 9, replica: 7 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -32.990239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.990239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.990239 (E_RNA) where: Base-Base interactions energy: -6.545 where: short stacking energy: -6.545 Base-Backbone interact. energy: -0.079 local terms energy: -26.366292 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -6.340 flat angles C4'-P-C4' energy: -7.464 flat angles P-C4'-P energy: -4.235 tors. eta vs tors. theta energy: -2.753 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: 385 Temperature: 1.350000 Total energy: -29.121709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.121709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.121709 (E_RNA) where: Base-Base interactions energy: -7.526 where: short stacking energy: -7.526 Base-Backbone interact. energy: -0.019 local terms energy: -21.577000 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -4.737 flat angles C4'-P-C4' energy: -7.316 flat angles P-C4'-P energy: -4.160 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: 1, replica: 9 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -44.069756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.069756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.069756 (E_RNA) where: Base-Base interactions energy: -14.700 where: short stacking energy: -14.700 Base-Backbone interact. energy: -0.000 local terms energy: -29.370141 where: bonds (distance) C4'-P energy: -4.759 bonds (distance) P-C4' energy: -6.397 flat angles C4'-P-C4' energy: -7.647 flat angles P-C4'-P energy: -3.180 tors. eta vs tors. theta energy: -7.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -42.196180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.196180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.196180 (E_RNA) where: Base-Base interactions energy: -14.317 where: short stacking energy: -14.317 Base-Backbone interact. energy: -0.012 local terms energy: -27.866800 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.795 flat angles P-C4'-P energy: -5.221 tors. eta vs tors. theta energy: -3.105 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: 3, replica: 2 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -35.156701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.156701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.156701 (E_RNA) where: Base-Base interactions energy: -11.533 where: short stacking energy: -11.580 Base-Backbone interact. energy: -0.210 local terms energy: -23.413720 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.623 flat angles P-C4'-P energy: -3.048 tors. eta vs tors. theta energy: -0.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -35.210226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.210226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.210226 (E_RNA) where: Base-Base interactions energy: -7.106 where: short stacking energy: -7.106 Base-Backbone interact. energy: -0.066 local terms energy: -28.038852 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.690 flat angles P-C4'-P energy: -4.634 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: 1 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -34.927927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.927927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.927927 (E_RNA) where: Base-Base interactions energy: -10.266 where: short stacking energy: -10.266 Base-Backbone interact. energy: -0.000 local terms energy: -24.662229 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -4.361 flat angles C4'-P-C4' energy: -6.273 flat angles P-C4'-P energy: -4.362 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: 6, replica: 5 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -35.811086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.811086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.811086 (E_RNA) where: Base-Base interactions energy: -13.200 where: short stacking energy: -13.200 Base-Backbone interact. energy: -0.085 local terms energy: -22.526147 where: bonds (distance) C4'-P energy: -3.410 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -6.474 flat angles P-C4'-P energy: -4.343 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: 7, replica: 6 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -32.717055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.717055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.717055 (E_RNA) where: Base-Base interactions energy: -9.363 where: short stacking energy: -9.363 Base-Backbone interact. energy: -0.164 local terms energy: -23.190044 where: bonds (distance) C4'-P energy: -5.517 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -4.649 flat angles P-C4'-P energy: -2.999 tors. eta vs tors. theta energy: -3.172 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: 10 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -30.366780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.366780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.366780 (E_RNA) where: Base-Base interactions energy: -7.048 where: short stacking energy: -7.048 Base-Backbone interact. energy: -0.000 local terms energy: -23.319062 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.402 flat angles P-C4'-P energy: -2.647 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: 9, replica: 3 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -27.451630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.451630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.451630 (E_RNA) where: Base-Base interactions energy: -5.825 where: short stacking energy: -5.825 Base-Backbone interact. energy: -0.000 local terms energy: -21.626832 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -6.831 flat angles P-C4'-P energy: -0.976 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: 10, replica: 7 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -30.315523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.315523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.315523 (E_RNA) where: Base-Base interactions energy: -7.966 where: short stacking energy: -7.966 Base-Backbone interact. energy: -0.097 local terms energy: -22.252615 where: bonds (distance) C4'-P energy: -3.790 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -6.404 flat angles P-C4'-P energy: -5.054 tors. eta vs tors. theta energy: -0.509 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: 9 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -36.804105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.804105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.804105 (E_RNA) where: Base-Base interactions energy: -11.462 where: short stacking energy: -11.462 Base-Backbone interact. energy: -0.027 local terms energy: -25.315852 where: bonds (distance) C4'-P energy: -5.397 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -5.088 flat angles P-C4'-P energy: -5.097 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: 2, replica: 2 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -37.924909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.924909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.924909 (E_RNA) where: Base-Base interactions energy: -12.596 where: short stacking energy: -10.190 Base-Backbone interact. energy: -0.038 local terms energy: -25.290809 where: bonds (distance) C4'-P energy: -5.173 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -5.988 flat angles P-C4'-P energy: -4.667 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: 3, replica: 4 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -35.960421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.960421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.960421 (E_RNA) where: Base-Base interactions energy: -11.137 where: short stacking energy: -11.137 Base-Backbone interact. energy: -0.004 local terms energy: -24.819001 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -5.356 flat angles P-C4'-P energy: -5.661 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: 4, replica: 1 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -36.676279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.676279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.676279 (E_RNA) where: Base-Base interactions energy: -10.183 where: short stacking energy: -10.183 Base-Backbone interact. energy: -0.019 local terms energy: -26.474195 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -5.290 flat angles C4'-P-C4' energy: -4.366 flat angles P-C4'-P energy: -5.693 tors. eta vs tors. theta energy: -5.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -35.073062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.073062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.073062 (E_RNA) where: Base-Base interactions energy: -7.235 where: short stacking energy: -6.259 Base-Backbone interact. energy: -0.097 local terms energy: -27.741277 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -7.164 flat angles P-C4'-P energy: -3.495 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: 6, replica: 6 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -31.053662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.053662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.053662 (E_RNA) where: Base-Base interactions energy: -7.723 where: short stacking energy: -5.926 Base-Backbone interact. energy: -0.013 local terms energy: -23.317865 where: bonds (distance) C4'-P energy: -5.503 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.450 flat angles P-C4'-P energy: -3.708 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: 7, replica: 5 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -28.790251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.790251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.790251 (E_RNA) where: Base-Base interactions energy: -8.935 where: short stacking energy: -8.935 Base-Backbone interact. energy: -0.076 local terms energy: -19.779582 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -4.050 flat angles P-C4'-P energy: -2.696 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: 8, replica: 3 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -30.234439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.234439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.234439 (E_RNA) where: Base-Base interactions energy: -9.212 where: short stacking energy: -9.212 Base-Backbone interact. energy: -0.005 local terms energy: -21.018209 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -3.427 flat angles P-C4'-P energy: -4.836 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: 9, replica: 10 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -31.263355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.263355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.263355 (E_RNA) where: Base-Base interactions energy: -8.399 where: short stacking energy: -8.399 Base-Backbone interact. energy: -0.017 local terms energy: -22.847225 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -6.814 flat angles C4'-P-C4' energy: -5.633 flat angles P-C4'-P energy: -4.463 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: 10, replica: 7 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -28.335279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.335279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.335279 (E_RNA) where: Base-Base interactions energy: -5.357 where: short stacking energy: -5.357 Base-Backbone interact. energy: -0.017 local terms energy: -22.961156 where: bonds (distance) C4'-P energy: -5.193 bonds (distance) P-C4' energy: -6.308 flat angles C4'-P-C4' energy: -5.519 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: -1.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -42.593973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.593973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.593973 (E_RNA) where: Base-Base interactions energy: -14.365 where: short stacking energy: -14.365 Base-Backbone interact. energy: -0.018 local terms energy: -28.210666 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.406 flat angles P-C4'-P energy: -3.725 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: 2, replica: 2 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -39.622486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.622486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.622486 (E_RNA) where: Base-Base interactions energy: -10.828 where: short stacking energy: -10.828 Base-Backbone interact. energy: -0.656 local terms energy: -28.138103 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.290 flat angles C4'-P-C4' energy: -6.318 flat angles P-C4'-P energy: -5.946 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: 3, replica: 1 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -32.638002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.638002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.638002 (E_RNA) where: Base-Base interactions energy: -5.736 where: short stacking energy: -5.736 Base-Backbone interact. energy: -0.093 local terms energy: -26.808436 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -5.637 flat angles P-C4'-P energy: -5.801 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: 4, replica: 4 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -34.193219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.193219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.193219 (E_RNA) where: Base-Base interactions energy: -7.121 where: short stacking energy: -7.121 Base-Backbone interact. energy: -0.001 local terms energy: -27.071103 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.427 flat angles P-C4'-P energy: -5.736 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: 6 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -33.573458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.573458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.573458 (E_RNA) where: Base-Base interactions energy: -10.912 where: short stacking energy: -10.912 Base-Backbone interact. energy: -0.001 local terms energy: -22.660549 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -5.004 flat angles C4'-P-C4' energy: -6.499 flat angles P-C4'-P energy: -3.587 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: 6, replica: 8 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -30.580647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.580647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.580647 (E_RNA) where: Base-Base interactions energy: -10.881 where: short stacking energy: -10.881 Base-Backbone interact. energy: -0.030 local terms energy: -19.670260 where: bonds (distance) C4'-P energy: -5.326 bonds (distance) P-C4' energy: -3.879 flat angles C4'-P-C4' energy: -4.608 flat angles P-C4'-P energy: -3.934 tors. eta vs tors. theta energy: -1.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -37.014877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.014877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.014877 (E_RNA) where: Base-Base interactions energy: -12.134 where: short stacking energy: -12.134 Base-Backbone interact. energy: -0.000 local terms energy: -24.880828 where: bonds (distance) C4'-P energy: -3.600 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.598 flat angles P-C4'-P energy: -1.942 tors. eta vs tors. theta energy: -6.206 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: 8, replica: 5 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -32.069160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.069160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.069160 (E_RNA) where: Base-Base interactions energy: -7.520 where: short stacking energy: -7.520 Base-Backbone interact. energy: -0.001 local terms energy: -24.548454 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -4.336 flat angles P-C4'-P energy: -3.314 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: 9, replica: 7 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -27.154281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.154281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.154281 (E_RNA) where: Base-Base interactions energy: -4.382 where: short stacking energy: -4.382 Base-Backbone interact. energy: -0.001 local terms energy: -22.771821 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -5.218 flat angles P-C4'-P energy: -4.389 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: 10, replica: 10 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -28.190432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.190432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.190432 (E_RNA) where: Base-Base interactions energy: -4.325 where: short stacking energy: -4.325 Base-Backbone interact. energy: 1.008 local terms energy: -24.873370 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.128 flat angles P-C4'-P energy: -5.832 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: 1, replica: 9 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -33.408814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.408814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.408814 (E_RNA) where: Base-Base interactions energy: -10.333 where: short stacking energy: -10.333 Base-Backbone interact. energy: -0.106 local terms energy: -22.969946 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -5.793 flat angles P-C4'-P energy: -5.311 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: 2, replica: 1 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -37.029799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.029799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.029799 (E_RNA) where: Base-Base interactions energy: -11.151 where: short stacking energy: -11.151 Base-Backbone interact. energy: -0.141 local terms energy: -25.737107 where: bonds (distance) C4'-P energy: -5.024 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -7.200 flat angles P-C4'-P energy: -4.500 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: 3, replica: 2 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -34.804221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.804221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.804221 (E_RNA) where: Base-Base interactions energy: -7.772 where: short stacking energy: -7.772 Base-Backbone interact. energy: -0.001 local terms energy: -27.031017 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.333 flat angles P-C4'-P energy: -5.881 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: 6 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -32.111835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.111835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.111835 (E_RNA) where: Base-Base interactions energy: -3.832 where: short stacking energy: -3.832 Base-Backbone interact. energy: -0.058 local terms energy: -28.221404 where: bonds (distance) C4'-P energy: -5.612 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -4.675 tors. eta vs tors. theta energy: -4.740 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: 4 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -36.452967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.452967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.452967 (E_RNA) where: Base-Base interactions energy: -12.701 where: short stacking energy: -12.701 Base-Backbone interact. energy: -0.000 local terms energy: -23.751384 where: bonds (distance) C4'-P energy: -4.722 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -4.741 flat angles P-C4'-P energy: -5.128 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: 6, replica: 3 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -38.652160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.652160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.652160 (E_RNA) where: Base-Base interactions energy: -6.490 where: short stacking energy: -6.490 Base-Backbone interact. energy: -0.000 local terms energy: -32.162481 where: bonds (distance) C4'-P energy: -5.773 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.240 flat angles P-C4'-P energy: -3.422 tors. eta vs tors. theta energy: -8.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -30.066629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.066629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.066629 (E_RNA) where: Base-Base interactions energy: -5.639 where: short stacking energy: -5.639 Base-Backbone interact. energy: -0.000 local terms energy: -24.427258 where: bonds (distance) C4'-P energy: -3.293 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -6.302 flat angles P-C4'-P energy: -3.595 tors. eta vs tors. theta energy: -4.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -30.793603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.793603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.793603 (E_RNA) where: Base-Base interactions energy: -9.620 where: short stacking energy: -9.620 Base-Backbone interact. energy: -0.098 local terms energy: -21.075506 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: -2.113 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: 9, replica: 7 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -29.785863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.785863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.785863 (E_RNA) where: Base-Base interactions energy: -6.939 where: short stacking energy: -6.939 Base-Backbone interact. energy: -0.002 local terms energy: -22.845352 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -5.819 flat angles P-C4'-P energy: -3.950 tors. eta vs tors. theta energy: -1.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -28.229340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.229340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.229340 (E_RNA) where: Base-Base interactions energy: -4.519 where: short stacking energy: -4.519 Base-Backbone interact. energy: 0.275 local terms energy: -23.985376 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -3.791 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: 1, replica: 9 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -39.204050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.204050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.204050 (E_RNA) where: Base-Base interactions energy: -12.837 where: short stacking energy: -12.837 Base-Backbone interact. energy: -0.038 local terms energy: -26.329039 where: bonds (distance) C4'-P energy: -6.179 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.908 flat angles P-C4'-P energy: -5.591 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: 2, replica: 1 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -38.544585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.544585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.544585 (E_RNA) where: Base-Base interactions energy: -9.422 where: short stacking energy: -9.422 Base-Backbone interact. energy: -0.120 local terms energy: -29.002212 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.496 flat angles P-C4'-P energy: -3.710 tors. eta vs tors. theta energy: -5.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -36.632230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.632230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.632230 (E_RNA) where: Base-Base interactions energy: -10.811 where: short stacking energy: -10.828 Base-Backbone interact. energy: -0.001 local terms energy: -25.820911 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -5.836 flat angles C4'-P-C4' energy: -4.293 flat angles P-C4'-P energy: -5.628 tors. eta vs tors. theta energy: -3.086 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: 2 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -34.874678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.874678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.874678 (E_RNA) where: Base-Base interactions energy: -7.406 where: short stacking energy: -7.406 Base-Backbone interact. energy: -0.097 local terms energy: -27.371787 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -6.758 flat angles P-C4'-P energy: -5.028 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: 5, replica: 3 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -34.205736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.205736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.205736 (E_RNA) where: Base-Base interactions energy: -9.633 where: short stacking energy: -9.633 Base-Backbone interact. energy: -0.002 local terms energy: -24.570490 where: bonds (distance) C4'-P energy: -4.697 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.493 flat angles P-C4'-P energy: -4.091 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: 6, replica: 4 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -30.441090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.441090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.441090 (E_RNA) where: Base-Base interactions energy: -5.758 where: short stacking energy: -5.758 Base-Backbone interact. energy: -0.001 local terms energy: -24.682353 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -5.402 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: -3.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -34.375814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.375814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.375814 (E_RNA) where: Base-Base interactions energy: -7.889 where: short stacking energy: -7.889 Base-Backbone interact. energy: -0.006 local terms energy: -26.481080 where: bonds (distance) C4'-P energy: -4.746 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.002 flat angles P-C4'-P energy: -5.923 tors. eta vs tors. theta energy: -3.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -33.205399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.205399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.205399 (E_RNA) where: Base-Base interactions energy: -8.806 where: short stacking energy: -8.806 Base-Backbone interact. energy: 0.000 local terms energy: -24.399198 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.719 flat angles P-C4'-P energy: -5.120 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: 9, replica: 10 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -32.540485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.540485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.540485 (E_RNA) where: Base-Base interactions energy: -10.583 where: short stacking energy: -10.583 Base-Backbone interact. energy: -0.084 local terms energy: -21.873933 where: bonds (distance) C4'-P energy: -5.405 bonds (distance) P-C4' energy: -5.188 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -5.458 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: 7 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -28.187505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.187505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.187505 (E_RNA) where: Base-Base interactions energy: -8.641 where: short stacking energy: -8.641 Base-Backbone interact. energy: -0.031 local terms energy: -19.515467 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -8.042 flat angles C4'-P-C4' energy: -4.886 flat angles P-C4'-P energy: 0.129 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: 9 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -43.127474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.127474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.127474 (E_RNA) where: Base-Base interactions energy: -13.890 where: short stacking energy: -13.890 Base-Backbone interact. energy: -0.000 local terms energy: -29.237272 where: bonds (distance) C4'-P energy: -5.310 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.782 flat angles P-C4'-P energy: -5.052 tors. eta vs tors. theta energy: -5.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -35.128651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.128651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.128651 (E_RNA) where: Base-Base interactions energy: -11.207 where: short stacking energy: -11.207 Base-Backbone interact. energy: -0.168 local terms energy: -23.753487 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.400 flat angles P-C4'-P energy: -4.367 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: 1 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -35.525126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.525126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.525126 (E_RNA) where: Base-Base interactions energy: -10.248 where: short stacking energy: -10.248 Base-Backbone interact. energy: -0.022 local terms energy: -25.255543 where: bonds (distance) C4'-P energy: -5.707 bonds (distance) P-C4' energy: -5.194 flat angles C4'-P-C4' energy: -6.880 flat angles P-C4'-P energy: -4.356 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: 4, replica: 3 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -33.659721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.659721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.659721 (E_RNA) where: Base-Base interactions energy: -11.470 where: short stacking energy: -10.103 Base-Backbone interact. energy: -0.279 local terms energy: -21.910996 where: bonds (distance) C4'-P energy: -4.108 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -5.443 flat angles P-C4'-P energy: -4.650 tors. eta vs tors. theta energy: -0.874 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: 5, replica: 2 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -34.481755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.481755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.481755 (E_RNA) where: Base-Base interactions energy: -10.044 where: short stacking energy: -10.044 Base-Backbone interact. energy: -0.001 local terms energy: -24.436674 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.686 flat angles P-C4'-P energy: -3.492 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: 6, replica: 5 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -30.809259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.809259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.809259 (E_RNA) where: Base-Base interactions energy: -3.591 where: short stacking energy: -3.591 Base-Backbone interact. energy: -0.004 local terms energy: -27.214715 where: bonds (distance) C4'-P energy: -4.953 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.381 flat angles P-C4'-P energy: -4.217 tors. eta vs tors. theta energy: -2.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -31.747732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.747732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.747732 (E_RNA) where: Base-Base interactions energy: -6.816 where: short stacking energy: -6.816 Base-Backbone interact. energy: -0.017 local terms energy: -24.914396 where: bonds (distance) C4'-P energy: -4.519 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -5.200 flat angles P-C4'-P energy: -5.174 tors. eta vs tors. theta energy: -4.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -30.838428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.838428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.838428 (E_RNA) where: Base-Base interactions energy: -9.896 where: short stacking energy: -9.896 Base-Backbone interact. energy: -0.002 local terms energy: -20.940102 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -3.345 flat angles P-C4'-P energy: -4.128 tors. eta vs tors. theta energy: -1.186 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: 8 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -30.099886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.099886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.099886 (E_RNA) where: Base-Base interactions energy: -8.205 where: short stacking energy: -8.205 Base-Backbone interact. energy: -0.000 local terms energy: -21.894962 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.748 flat angles P-C4'-P energy: -1.302 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: 10, replica: 7 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -27.366076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.366076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.366076 (E_RNA) where: Base-Base interactions energy: -7.388 where: short stacking energy: -7.388 Base-Backbone interact. energy: -0.000 local terms energy: -19.977910 where: bonds (distance) C4'-P energy: -4.892 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -3.168 flat angles P-C4'-P energy: -4.606 tors. eta vs tors. theta energy: 0.480 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: 6 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -36.558610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.558610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.558610 (E_RNA) where: Base-Base interactions energy: -10.204 where: short stacking energy: -10.403 Base-Backbone interact. energy: -0.008 local terms energy: -26.346605 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -6.852 flat angles P-C4'-P energy: -5.207 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: 2, replica: 9 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -41.609638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.609638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.609638 (E_RNA) where: Base-Base interactions energy: -16.686 where: short stacking energy: -16.144 Base-Backbone interact. energy: -0.028 local terms energy: -24.896054 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -7.479 flat angles P-C4'-P energy: -2.097 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: 3, replica: 3 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -39.908938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.908938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.908938 (E_RNA) where: Base-Base interactions energy: -15.089 where: short stacking energy: -15.089 Base-Backbone interact. energy: -0.000 local terms energy: -24.819918 where: bonds (distance) C4'-P energy: -4.846 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.568 flat angles P-C4'-P energy: -3.177 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: 1 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -36.518699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.518699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.518699 (E_RNA) where: Base-Base interactions energy: -11.203 where: short stacking energy: -11.203 Base-Backbone interact. energy: -0.150 local terms energy: -25.165580 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.064 flat angles P-C4'-P energy: -2.275 tors. eta vs tors. theta energy: -1.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -34.871007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.871007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.871007 (E_RNA) where: Base-Base interactions energy: -9.667 where: short stacking energy: -9.667 Base-Backbone interact. energy: -0.002 local terms energy: -25.202216 where: bonds (distance) C4'-P energy: -5.008 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -2.502 tors. eta vs tors. theta energy: -5.342 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: 2 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -36.093928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.093928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.093928 (E_RNA) where: Base-Base interactions energy: -7.034 where: short stacking energy: -7.034 Base-Backbone interact. energy: -0.045 local terms energy: -29.015198 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -7.284 flat angles P-C4'-P energy: -4.514 tors. eta vs tors. theta energy: -3.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -29.979812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.979812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.979812 (E_RNA) where: Base-Base interactions energy: -7.980 where: short stacking energy: -7.220 Base-Backbone interact. energy: -0.008 local terms energy: -21.992366 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -3.854 flat angles P-C4'-P energy: -3.577 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: 8, replica: 10 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -28.700246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.700246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.700246 (E_RNA) where: Base-Base interactions energy: -6.788 where: short stacking energy: -6.788 Base-Backbone interact. energy: -0.071 local terms energy: -21.841600 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -4.785 flat angles P-C4'-P energy: -2.130 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: 7 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -31.291857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.291857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.291857 (E_RNA) where: Base-Base interactions energy: -8.269 where: short stacking energy: -8.269 Base-Backbone interact. energy: -0.019 local terms energy: -23.003920 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -4.238 flat angles C4'-P-C4' energy: -5.423 flat angles P-C4'-P energy: -4.680 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: 10, replica: 8 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -32.743161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.743161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.743161 (E_RNA) where: Base-Base interactions energy: -6.734 where: short stacking energy: -6.734 Base-Backbone interact. energy: -0.382 local terms energy: -25.627411 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.175 flat angles P-C4'-P energy: -5.286 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: 1, replica: 6 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -36.341983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.341983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.341983 (E_RNA) where: Base-Base interactions energy: -10.241 where: short stacking energy: -10.241 Base-Backbone interact. energy: -0.000 local terms energy: -26.101281 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.652 flat angles P-C4'-P energy: -6.073 tors. eta vs tors. theta energy: -2.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -37.186792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.186792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.186792 (E_RNA) where: Base-Base interactions energy: -10.166 where: short stacking energy: -10.166 Base-Backbone interact. energy: -0.001 local terms energy: -27.020269 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -5.537 tors. eta vs tors. theta energy: -3.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -34.025025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.025025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.025025 (E_RNA) where: Base-Base interactions energy: -7.212 where: short stacking energy: -6.596 Base-Backbone interact. energy: -0.104 local terms energy: -26.708569 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.349 flat angles P-C4'-P energy: -4.801 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: 5 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -34.028478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.028478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.028478 (E_RNA) where: Base-Base interactions energy: -6.186 where: short stacking energy: -6.186 Base-Backbone interact. energy: -0.008 local terms energy: -27.834531 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.991 flat angles P-C4'-P energy: -4.596 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: 5, replica: 1 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -36.532246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.532246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.532246 (E_RNA) where: Base-Base interactions energy: -10.965 where: short stacking energy: -10.965 Base-Backbone interact. energy: -0.073 local terms energy: -25.494635 where: bonds (distance) C4'-P energy: -5.547 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.354 flat angles P-C4'-P energy: -3.778 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: 6, replica: 4 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -32.317080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.317080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.317080 (E_RNA) where: Base-Base interactions energy: -8.555 where: short stacking energy: -8.555 Base-Backbone interact. energy: -0.032 local terms energy: -23.729343 where: bonds (distance) C4'-P energy: -3.765 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -5.101 flat angles P-C4'-P energy: -3.825 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: 7, replica: 2 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -30.582073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.582073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.582073 (E_RNA) where: Base-Base interactions energy: -10.567 where: short stacking energy: -10.567 Base-Backbone interact. energy: -0.000 local terms energy: -20.014814 where: bonds (distance) C4'-P energy: -5.911 bonds (distance) P-C4' energy: -5.296 flat angles C4'-P-C4' energy: -4.477 flat angles P-C4'-P energy: -2.295 tors. eta vs tors. theta energy: -2.036 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: 7 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -32.662976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.662976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.662976 (E_RNA) where: Base-Base interactions energy: -9.823 where: short stacking energy: -9.823 Base-Backbone interact. energy: -0.016 local terms energy: -22.823946 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -3.200 flat angles P-C4'-P energy: -4.354 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: 9, replica: 10 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -32.055079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.055079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.055079 (E_RNA) where: Base-Base interactions energy: -6.214 where: short stacking energy: -6.214 Base-Backbone interact. energy: -0.034 local terms energy: -25.806916 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -5.288 tors. eta vs tors. theta energy: -2.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -27.783099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.783099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.783099 (E_RNA) where: Base-Base interactions energy: -5.707 where: short stacking energy: -5.707 Base-Backbone interact. energy: -0.016 local terms energy: -22.059989 where: bonds (distance) C4'-P energy: -5.596 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.128 flat angles P-C4'-P energy: -4.102 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: 1, replica: 3 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -40.949803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.949803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.949803 (E_RNA) where: Base-Base interactions energy: -11.304 where: short stacking energy: -11.304 Base-Backbone interact. energy: -0.000 local terms energy: -29.645980 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.333 flat angles P-C4'-P energy: -4.330 tors. eta vs tors. theta energy: -4.446 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: 6 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -35.304420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.304420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.304420 (E_RNA) where: Base-Base interactions energy: -10.780 where: short stacking energy: -10.780 Base-Backbone interact. energy: -0.031 local terms energy: -24.493978 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -6.224 flat angles P-C4'-P energy: -3.574 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: 3, replica: 5 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -35.281820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.281820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.281820 (E_RNA) where: Base-Base interactions energy: -9.313 where: short stacking energy: -6.952 Base-Backbone interact. energy: -0.100 local terms energy: -25.869440 where: bonds (distance) C4'-P energy: -5.227 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.455 flat angles P-C4'-P energy: -5.618 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: 4, replica: 9 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -34.322407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.322407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.322407 (E_RNA) where: Base-Base interactions energy: -7.806 where: short stacking energy: -6.283 Base-Backbone interact. energy: -0.000 local terms energy: -26.516252 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.363 flat angles P-C4'-P energy: -4.203 tors. eta vs tors. theta energy: -2.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -31.159195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.159195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.159195 (E_RNA) where: Base-Base interactions energy: -6.771 where: short stacking energy: -6.771 Base-Backbone interact. energy: -0.003 local terms energy: -24.385329 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -5.649 flat angles C4'-P-C4' energy: -4.757 flat angles P-C4'-P energy: -4.411 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: 6, replica: 1 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -36.595381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.595381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.595381 (E_RNA) where: Base-Base interactions energy: -12.051 where: short stacking energy: -12.051 Base-Backbone interact. energy: -0.003 local terms energy: -24.541520 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -3.646 flat angles C4'-P-C4' energy: -7.250 flat angles P-C4'-P energy: -4.660 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: 7, replica: 7 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -27.703579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.703579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.703579 (E_RNA) where: Base-Base interactions energy: -6.026 where: short stacking energy: -6.026 Base-Backbone interact. energy: -0.002 local terms energy: -21.675138 where: bonds (distance) C4'-P energy: -4.945 bonds (distance) P-C4' energy: -2.790 flat angles C4'-P-C4' energy: -7.160 flat angles P-C4'-P energy: -4.750 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: 2 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -31.040622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.040622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.040622 (E_RNA) where: Base-Base interactions energy: -6.897 where: short stacking energy: -6.897 Base-Backbone interact. energy: -0.100 local terms energy: -24.043843 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -4.875 flat angles P-C4'-P energy: -3.050 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: 9, replica: 8 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -32.527114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.527114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.527114 (E_RNA) where: Base-Base interactions energy: -9.020 where: short stacking energy: -9.020 Base-Backbone interact. energy: -0.033 local terms energy: -23.474399 where: bonds (distance) C4'-P energy: -4.305 bonds (distance) P-C4' energy: -4.825 flat angles C4'-P-C4' energy: -7.093 flat angles P-C4'-P energy: -4.784 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: 10, replica: 10 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -29.227526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.227526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.227526 (E_RNA) where: Base-Base interactions energy: -8.108 where: short stacking energy: -8.108 Base-Backbone interact. energy: -0.000 local terms energy: -21.119518 where: bonds (distance) C4'-P energy: -3.951 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.357 flat angles P-C4'-P energy: -2.136 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: 1, replica: 3 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -37.971375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.971375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.971375 (E_RNA) where: Base-Base interactions energy: -11.452 where: short stacking energy: -11.452 Base-Backbone interact. energy: -0.000 local terms energy: -26.519281 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -5.768 flat angles C4'-P-C4' energy: -6.243 flat angles P-C4'-P energy: -4.061 tors. eta vs tors. theta energy: -4.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -34.469195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.469195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.469195 (E_RNA) where: Base-Base interactions energy: -6.518 where: short stacking energy: -6.518 Base-Backbone interact. energy: -0.038 local terms energy: -27.913193 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -6.729 flat angles P-C4'-P energy: -4.399 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: 6 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -37.896122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.896122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.896122 (E_RNA) where: Base-Base interactions energy: -10.172 where: short stacking energy: -10.172 Base-Backbone interact. energy: -0.114 local terms energy: -27.609730 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.979 flat angles P-C4'-P energy: -3.241 tors. eta vs tors. theta energy: -3.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -34.125335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.125335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.125335 (E_RNA) where: Base-Base interactions energy: -6.492 where: short stacking energy: -6.492 Base-Backbone interact. energy: -0.000 local terms energy: -27.633416 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.547 flat angles P-C4'-P energy: -4.701 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: 9 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -37.170002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.170002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.170002 (E_RNA) where: Base-Base interactions energy: -11.468 where: short stacking energy: -11.468 Base-Backbone interact. energy: -0.150 local terms energy: -25.551838 where: bonds (distance) C4'-P energy: -6.407 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -6.765 flat angles P-C4'-P energy: -2.921 tors. eta vs tors. theta energy: -2.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -42.617568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.617568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.617568 (E_RNA) where: Base-Base interactions energy: -11.839 where: short stacking energy: -11.839 Base-Backbone interact. energy: -0.022 local terms energy: -30.756926 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.147 flat angles P-C4'-P energy: -6.328 tors. eta vs tors. theta energy: -5.459 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: 1 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -33.867626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.867626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.867626 (E_RNA) where: Base-Base interactions energy: -9.053 where: short stacking energy: -9.053 Base-Backbone interact. energy: -0.070 local terms energy: -24.744366 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -4.557 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -4.791 tors. eta vs tors. theta energy: -2.775 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: 8 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -30.576093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.576093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.576093 (E_RNA) where: Base-Base interactions energy: -6.239 where: short stacking energy: -6.239 Base-Backbone interact. energy: -0.047 local terms energy: -24.290634 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -4.210 flat angles P-C4'-P energy: -5.480 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: 9, replica: 2 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -27.330198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.330198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.330198 (E_RNA) where: Base-Base interactions energy: -3.006 where: short stacking energy: -3.006 Base-Backbone interact. energy: -0.037 local terms energy: -24.287109 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -5.831 flat angles P-C4'-P energy: -4.575 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: 10 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -31.886302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.886302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.886302 (E_RNA) where: Base-Base interactions energy: -7.977 where: short stacking energy: -7.977 Base-Backbone interact. energy: -0.001 local terms energy: -23.908166 where: bonds (distance) C4'-P energy: -5.480 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.183 flat angles P-C4'-P energy: -4.584 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: 1, replica: 5 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -37.036650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.036650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.036650 (E_RNA) where: Base-Base interactions energy: -8.853 where: short stacking energy: -8.853 Base-Backbone interact. energy: -0.001 local terms energy: -28.182545 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -4.564 tors. eta vs tors. theta energy: -4.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -38.997025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.997025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.997025 (E_RNA) where: Base-Base interactions energy: -12.570 where: short stacking energy: -12.570 Base-Backbone interact. energy: -0.059 local terms energy: -26.368187 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.971 flat angles P-C4'-P energy: -2.986 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: 3, replica: 4 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -38.432171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.432171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.432171 (E_RNA) where: Base-Base interactions energy: -10.486 where: short stacking energy: -10.486 Base-Backbone interact. energy: -0.001 local terms energy: -27.945166 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.126 flat angles P-C4'-P energy: -4.819 tors. eta vs tors. theta energy: -3.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -32.886709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.886709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.886709 (E_RNA) where: Base-Base interactions energy: -8.802 where: short stacking energy: -8.802 Base-Backbone interact. energy: -0.005 local terms energy: -24.079688 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.787 flat angles C4'-P-C4' energy: -6.017 flat angles P-C4'-P energy: -4.619 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: 5, replica: 7 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -29.446432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.446432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.446432 (E_RNA) where: Base-Base interactions energy: -5.373 where: short stacking energy: -5.373 Base-Backbone interact. energy: -0.401 local terms energy: -23.672017 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -4.996 flat angles P-C4'-P energy: -3.893 tors. eta vs tors. theta energy: -1.088 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: 9 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -31.829118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.829118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.829118 (E_RNA) where: Base-Base interactions energy: -7.275 where: short stacking energy: -7.275 Base-Backbone interact. energy: -0.088 local terms energy: -24.466564 where: bonds (distance) C4'-P energy: -6.482 bonds (distance) P-C4' energy: -5.561 flat angles C4'-P-C4' energy: -6.183 flat angles P-C4'-P energy: -2.520 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: 7, replica: 8 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -31.667592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.667592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.667592 (E_RNA) where: Base-Base interactions energy: -7.103 where: short stacking energy: -7.103 Base-Backbone interact. energy: -0.012 local terms energy: -24.552842 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -6.152 flat angles C4'-P-C4' energy: -5.451 flat angles P-C4'-P energy: -4.447 tors. eta vs tors. theta energy: -1.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -36.550602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.550602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.550602 (E_RNA) where: Base-Base interactions energy: -8.899 where: short stacking energy: -8.899 Base-Backbone interact. energy: -0.084 local terms energy: -27.567140 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.240 flat angles P-C4'-P energy: -2.688 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: 9, replica: 2 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -37.125588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.125588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.125588 (E_RNA) where: Base-Base interactions energy: -11.389 where: short stacking energy: -11.389 Base-Backbone interact. energy: -0.237 local terms energy: -25.499943 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.238 flat angles P-C4'-P energy: -4.366 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: 10 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -28.806933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.806933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.806933 (E_RNA) where: Base-Base interactions energy: -6.116 where: short stacking energy: -6.116 Base-Backbone interact. energy: -0.000 local terms energy: -22.690147 where: bonds (distance) C4'-P energy: -4.863 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -3.882 flat angles P-C4'-P energy: -2.958 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: 5 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -35.925914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.925914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.925914 (E_RNA) where: Base-Base interactions energy: -7.350 where: short stacking energy: -7.350 Base-Backbone interact. energy: -0.001 local terms energy: -28.574793 where: bonds (distance) C4'-P energy: -6.043 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -7.150 flat angles P-C4'-P energy: -4.947 tors. eta vs tors. theta energy: -3.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -33.675721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.675721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.675721 (E_RNA) where: Base-Base interactions energy: -8.493 where: short stacking energy: -8.493 Base-Backbone interact. energy: -0.113 local terms energy: -25.069975 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.905 flat angles P-C4'-P energy: -2.820 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: 3, replica: 3 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -35.639531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.639531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.639531 (E_RNA) where: Base-Base interactions energy: -8.037 where: short stacking energy: -8.037 Base-Backbone interact. energy: -0.004 local terms energy: -27.598209 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.834 flat angles P-C4'-P energy: -5.777 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: 7 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -34.155822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.155822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.155822 (E_RNA) where: Base-Base interactions energy: -10.936 where: short stacking energy: -10.936 Base-Backbone interact. energy: -0.025 local terms energy: -23.195720 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -5.996 flat angles C4'-P-C4' energy: -6.678 flat angles P-C4'-P energy: -4.882 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: 5, replica: 6 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -33.512892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.512892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.512892 (E_RNA) where: Base-Base interactions energy: -7.612 where: short stacking energy: -7.612 Base-Backbone interact. energy: -0.113 local terms energy: -25.787647 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.371 flat angles P-C4'-P energy: -5.051 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: 6, replica: 8 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -36.972295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.972295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.972295 (E_RNA) where: Base-Base interactions energy: -10.823 where: short stacking energy: -10.823 Base-Backbone interact. energy: -0.003 local terms energy: -26.146281 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -2.490 flat angles P-C4'-P energy: -6.459 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: 7, replica: 9 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -30.841263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.841263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.841263 (E_RNA) where: Base-Base interactions energy: -3.514 where: short stacking energy: -3.514 Base-Backbone interact. energy: -0.045 local terms energy: -27.282014 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.367 flat angles P-C4'-P energy: -4.598 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: 8, replica: 2 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -29.109764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.109764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.109764 (E_RNA) where: Base-Base interactions energy: -6.348 where: short stacking energy: -6.348 Base-Backbone interact. energy: -0.147 local terms energy: -22.615295 where: bonds (distance) C4'-P energy: -4.482 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -4.470 flat angles P-C4'-P energy: -2.877 tors. eta vs tors. theta energy: -3.975 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: 9, replica: 1 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -30.616272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.616272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.616272 (E_RNA) where: Base-Base interactions energy: -6.842 where: short stacking energy: -6.842 Base-Backbone interact. energy: -0.114 local terms energy: -23.660738 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.739 flat angles P-C4'-P energy: -5.818 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: 10, replica: 10 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -28.235479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.235479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.235479 (E_RNA) where: Base-Base interactions energy: -5.940 where: short stacking energy: -5.940 Base-Backbone interact. energy: -0.422 local terms energy: -21.872943 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.991 flat angles P-C4'-P energy: -0.811 tors. eta vs tors. theta energy: -2.860 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: 1, replica: 4 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -43.336107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.336107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.336107 (E_RNA) where: Base-Base interactions energy: -13.942 where: short stacking energy: -13.942 Base-Backbone interact. energy: -0.000 local terms energy: -29.394122 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -3.517 tors. eta vs tors. theta energy: -4.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -37.453060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.453060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.453060 (E_RNA) where: Base-Base interactions energy: -8.418 where: short stacking energy: -8.418 Base-Backbone interact. energy: -0.901 local terms energy: -28.133904 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -7.443 flat angles P-C4'-P energy: -5.250 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: 3, replica: 7 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -36.943234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.943234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.943234 (E_RNA) where: Base-Base interactions energy: -11.888 where: short stacking energy: -11.888 Base-Backbone interact. energy: -0.024 local terms energy: -25.031202 where: bonds (distance) C4'-P energy: -6.001 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.498 flat angles P-C4'-P energy: -4.348 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: 4, replica: 3 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -36.474562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.474562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.474562 (E_RNA) where: Base-Base interactions energy: -11.106 where: short stacking energy: -11.106 Base-Backbone interact. energy: -0.000 local terms energy: -25.367990 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -5.714 flat angles P-C4'-P energy: -4.991 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: 5, replica: 8 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -31.609566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.609566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.609566 (E_RNA) where: Base-Base interactions energy: -7.944 where: short stacking energy: -7.944 Base-Backbone interact. energy: -0.067 local terms energy: -23.599252 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -5.675 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -5.046 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: 6, replica: 6 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -32.432254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.432254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.432254 (E_RNA) where: Base-Base interactions energy: -10.302 where: short stacking energy: -10.302 Base-Backbone interact. energy: -0.000 local terms energy: -22.129604 where: bonds (distance) C4'-P energy: -4.751 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -2.333 flat angles P-C4'-P energy: -3.354 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: 2 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -33.624302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.624302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.624302 (E_RNA) where: Base-Base interactions energy: -5.756 where: short stacking energy: -5.756 Base-Backbone interact. energy: -0.115 local terms energy: -27.752539 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.715 flat angles P-C4'-P energy: -5.878 tors. eta vs tors. theta energy: -1.708 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: 9 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -30.131466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.131466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.131466 (E_RNA) where: Base-Base interactions energy: -6.280 where: short stacking energy: -6.280 Base-Backbone interact. energy: -0.018 local terms energy: -23.833638 where: bonds (distance) C4'-P energy: -6.523 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.107 flat angles P-C4'-P energy: -4.508 tors. eta vs tors. theta energy: -0.901 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: 10 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -30.702324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.702324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.702324 (E_RNA) where: Base-Base interactions energy: -6.952 where: short stacking energy: -6.952 Base-Backbone interact. energy: -0.302 local terms energy: -23.448680 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -4.946 flat angles P-C4'-P energy: -4.511 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: 10, replica: 1 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -28.720351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.720351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.720351 (E_RNA) where: Base-Base interactions energy: -8.742 where: short stacking energy: -8.742 Base-Backbone interact. energy: -0.111 local terms energy: -19.866763 where: bonds (distance) C4'-P energy: -5.981 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -3.693 flat angles P-C4'-P energy: -4.806 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: 1, replica: 4 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -45.904761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.904761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.904761 (E_RNA) where: Base-Base interactions energy: -15.301 where: short stacking energy: -15.301 Base-Backbone interact. energy: -0.926 local terms energy: -29.677631 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -7.818 flat angles P-C4'-P energy: -3.619 tors. eta vs tors. theta energy: -4.360 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: 7 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -33.850185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.850185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.850185 (E_RNA) where: Base-Base interactions energy: -7.232 where: short stacking energy: -7.232 Base-Backbone interact. energy: -0.001 local terms energy: -26.618136 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -4.969 flat angles P-C4'-P energy: -4.862 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: 3, replica: 5 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -36.055289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.055289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.055289 (E_RNA) where: Base-Base interactions energy: -10.179 where: short stacking energy: -10.179 Base-Backbone interact. energy: -0.006 local terms energy: -25.870112 where: bonds (distance) C4'-P energy: -4.792 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.586 flat angles P-C4'-P energy: -3.625 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: 4, replica: 3 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -40.601345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.601345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.601345 (E_RNA) where: Base-Base interactions energy: -12.398 where: short stacking energy: -10.166 Base-Backbone interact. energy: -0.069 local terms energy: -28.135023 where: bonds (distance) C4'-P energy: -5.380 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.763 flat angles P-C4'-P energy: -4.745 tors. eta vs tors. theta energy: -4.446 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: 8 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -33.273542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.273542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.273542 (E_RNA) where: Base-Base interactions energy: -7.074 where: short stacking energy: -3.096 Base-Backbone interact. energy: -0.110 local terms energy: -26.089296 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -5.394 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: 2 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -34.423518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.423518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.423518 (E_RNA) where: Base-Base interactions energy: -7.610 where: short stacking energy: -7.610 Base-Backbone interact. energy: -0.001 local terms energy: -26.812818 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -6.985 flat angles C4'-P-C4' energy: -5.208 flat angles P-C4'-P energy: -5.296 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: 7, replica: 6 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -31.930188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.930188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.930188 (E_RNA) where: Base-Base interactions energy: -8.224 where: short stacking energy: -8.224 Base-Backbone interact. energy: -0.011 local terms energy: -23.695568 where: bonds (distance) C4'-P energy: -5.815 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.174 flat angles P-C4'-P energy: -5.262 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: 8, replica: 10 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -32.894958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.894958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.894958 (E_RNA) where: Base-Base interactions energy: -11.587 where: short stacking energy: -11.587 Base-Backbone interact. energy: -0.174 local terms energy: -21.133077 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -1.086 flat angles C4'-P-C4' energy: -7.278 flat angles P-C4'-P energy: -4.143 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: 9, replica: 9 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -32.007080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.007080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.007080 (E_RNA) where: Base-Base interactions energy: -12.174 where: short stacking energy: -12.174 Base-Backbone interact. energy: -0.110 local terms energy: -19.722639 where: bonds (distance) C4'-P energy: -5.511 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.294 flat angles P-C4'-P energy: -3.654 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: 10, replica: 1 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -29.160327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.160327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.160327 (E_RNA) where: Base-Base interactions energy: -5.501 where: short stacking energy: -5.501 Base-Backbone interact. energy: -0.224 local terms energy: -23.435366 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -5.087 flat angles C4'-P-C4' energy: -6.038 flat angles P-C4'-P energy: -4.784 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: 1, replica: 7 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -40.979002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.979002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.979002 (E_RNA) where: Base-Base interactions energy: -12.301 where: short stacking energy: -12.301 Base-Backbone interact. energy: -0.000 local terms energy: -28.677942 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.103 flat angles P-C4'-P energy: -4.705 tors. eta vs tors. theta energy: -5.858 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: 4 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -43.521286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.521286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.521286 (E_RNA) where: Base-Base interactions energy: -16.266 where: short stacking energy: -10.618 Base-Backbone interact. energy: 0.135 local terms energy: -27.389868 where: bonds (distance) C4'-P energy: -5.363 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.377 flat angles P-C4'-P energy: -5.860 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: 3, replica: 3 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -37.315316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.315316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.315316 (E_RNA) where: Base-Base interactions energy: -10.069 where: short stacking energy: -10.069 Base-Backbone interact. energy: -0.023 local terms energy: -27.223151 where: bonds (distance) C4'-P energy: -5.599 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -7.007 flat angles P-C4'-P energy: -6.192 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: 4, replica: 5 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -34.945542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.945542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.945542 (E_RNA) where: Base-Base interactions energy: -8.400 where: short stacking energy: -8.400 Base-Backbone interact. energy: -0.000 local terms energy: -26.545327 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -5.687 flat angles P-C4'-P energy: -5.124 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: 5, replica: 8 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -32.703519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.703519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.703519 (E_RNA) where: Base-Base interactions energy: -10.540 where: short stacking energy: -6.699 Base-Backbone interact. energy: 1.034 local terms energy: -23.197993 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.259 flat angles C4'-P-C4' energy: -5.050 flat angles P-C4'-P energy: -4.309 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: 6, replica: 2 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -33.430674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.430674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.430674 (E_RNA) where: Base-Base interactions energy: -8.920 where: short stacking energy: -8.920 Base-Backbone interact. energy: -0.000 local terms energy: -24.510518 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -4.264 flat angles P-C4'-P energy: -3.696 tors. eta vs tors. theta energy: -1.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -32.209527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.209527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.209527 (E_RNA) where: Base-Base interactions energy: -10.926 where: short stacking energy: -10.926 Base-Backbone interact. energy: -0.018 local terms energy: -21.265004 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -6.311 flat angles C4'-P-C4' energy: -3.130 flat angles P-C4'-P energy: -3.312 tors. eta vs tors. theta energy: -2.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -32.795715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.795715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.795715 (E_RNA) where: Base-Base interactions energy: -8.602 where: short stacking energy: -8.602 Base-Backbone interact. energy: -0.044 local terms energy: -24.150197 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.730 flat angles P-C4'-P energy: -3.017 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: 9, replica: 1 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -28.861822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.861822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.861822 (E_RNA) where: Base-Base interactions energy: -3.016 where: short stacking energy: -3.016 Base-Backbone interact. energy: -0.086 local terms energy: -25.760149 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -7.293 flat angles P-C4'-P energy: -5.958 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: 10, replica: 9 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -29.436265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.436265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.436265 (E_RNA) where: Base-Base interactions energy: -3.688 where: short stacking energy: -3.688 Base-Backbone interact. energy: -0.019 local terms energy: -25.728517 where: bonds (distance) C4'-P energy: -4.403 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.113 flat angles P-C4'-P energy: -4.274 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: 1, replica: 7 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -40.140625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.140625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.140625 (E_RNA) where: Base-Base interactions energy: -13.875 where: short stacking energy: -13.875 Base-Backbone interact. energy: -0.028 local terms energy: -26.237201 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.265 flat angles P-C4'-P energy: -5.475 tors. eta vs tors. theta energy: -2.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -37.517777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.517777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.517777 (E_RNA) where: Base-Base interactions energy: -11.462 where: short stacking energy: -11.462 Base-Backbone interact. energy: -0.079 local terms energy: -25.976821 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -6.185 flat angles P-C4'-P energy: -4.047 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: 3, replica: 3 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -38.875485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.875485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.875485 (E_RNA) where: Base-Base interactions energy: -11.277 where: short stacking energy: -11.277 Base-Backbone interact. energy: -0.119 local terms energy: -27.479241 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -5.994 flat angles C4'-P-C4' energy: -6.553 flat angles P-C4'-P energy: -6.214 tors. eta vs tors. theta energy: -2.513 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: 8 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -33.794481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.794481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.794481 (E_RNA) where: Base-Base interactions energy: -8.974 where: short stacking energy: -8.974 Base-Backbone interact. energy: -0.010 local terms energy: -24.810530 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -6.423 flat angles P-C4'-P energy: -2.974 tors. eta vs tors. theta energy: -3.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -34.314580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.314580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.314580 (E_RNA) where: Base-Base interactions energy: -5.079 where: short stacking energy: -5.079 Base-Backbone interact. energy: -0.024 local terms energy: -29.211833 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -6.292 flat angles P-C4'-P energy: -5.527 tors. eta vs tors. theta energy: -4.232 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: 2 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -38.833604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.833604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.833604 (E_RNA) where: Base-Base interactions energy: -13.410 where: short stacking energy: -13.410 Base-Backbone interact. energy: -0.000 local terms energy: -25.423094 where: bonds (distance) C4'-P energy: -2.425 bonds (distance) P-C4' energy: -4.403 flat angles C4'-P-C4' energy: -7.064 flat angles P-C4'-P energy: -5.888 tors. eta vs tors. theta energy: -5.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -29.182229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.182229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.182229 (E_RNA) where: Base-Base interactions energy: -8.796 where: short stacking energy: -8.227 Base-Backbone interact. energy: 0.638 local terms energy: -21.024813 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.163 flat angles C4'-P-C4' energy: -5.635 flat angles P-C4'-P energy: -4.627 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: 8, replica: 1 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -30.314924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.314924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.314924 (E_RNA) where: Base-Base interactions energy: -8.365 where: short stacking energy: -8.365 Base-Backbone interact. energy: -0.176 local terms energy: -21.773598 where: bonds (distance) C4'-P energy: -5.806 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -3.377 flat angles P-C4'-P energy: -3.251 tors. eta vs tors. theta energy: -1.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -32.421915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.421915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.421915 (E_RNA) where: Base-Base interactions energy: -7.604 where: short stacking energy: -7.604 Base-Backbone interact. energy: -0.000 local terms energy: -24.817354 where: bonds (distance) C4'-P energy: -5.625 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -6.274 flat angles P-C4'-P energy: -4.346 tors. eta vs tors. theta energy: -1.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -26.744592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.744592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.744592 (E_RNA) where: Base-Base interactions energy: -3.326 where: short stacking energy: -3.326 Base-Backbone interact. energy: -0.093 local terms energy: -23.325477 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.806 flat angles C4'-P-C4' energy: -2.895 flat angles P-C4'-P energy: -4.755 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: 1, replica: 4 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -38.331135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.331135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.331135 (E_RNA) where: Base-Base interactions energy: -10.144 where: short stacking energy: -10.144 Base-Backbone interact. energy: -0.000 local terms energy: -28.187085 where: bonds (distance) C4'-P energy: -6.816 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.382 flat angles P-C4'-P energy: -1.836 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: 7 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -33.865431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.865431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.865431 (E_RNA) where: Base-Base interactions energy: -5.698 where: short stacking energy: -5.698 Base-Backbone interact. energy: -0.023 local terms energy: -28.145203 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.508 flat angles P-C4'-P energy: -4.072 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: 3, replica: 8 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -35.416279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.416279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.416279 (E_RNA) where: Base-Base interactions energy: -7.478 where: short stacking energy: -7.478 Base-Backbone interact. energy: -0.884 local terms energy: -27.054488 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.189 flat angles P-C4'-P energy: -4.677 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: 4, replica: 3 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -32.416695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.416695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.416695 (E_RNA) where: Base-Base interactions energy: -6.796 where: short stacking energy: -6.796 Base-Backbone interact. energy: -0.035 local terms energy: -25.585189 where: bonds (distance) C4'-P energy: -5.599 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.832 flat angles P-C4'-P energy: -2.818 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: 5 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -32.505880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.505880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.505880 (E_RNA) where: Base-Base interactions energy: -10.173 where: short stacking energy: -10.173 Base-Backbone interact. energy: -0.001 local terms energy: -22.332381 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -6.320 flat angles C4'-P-C4' energy: -3.614 flat angles P-C4'-P energy: -5.045 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: 6, replica: 2 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -27.062521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.062521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.062521 (E_RNA) where: Base-Base interactions energy: -5.047 where: short stacking energy: -5.047 Base-Backbone interact. energy: -0.006 local terms energy: -22.010335 where: bonds (distance) C4'-P energy: -5.181 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -4.252 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: 7, replica: 1 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -31.850771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.850771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.850771 (E_RNA) where: Base-Base interactions energy: -8.821 where: short stacking energy: -8.821 Base-Backbone interact. energy: -0.121 local terms energy: -22.908057 where: bonds (distance) C4'-P energy: -2.995 bonds (distance) P-C4' energy: -4.691 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -5.066 tors. eta vs tors. theta energy: -4.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -27.441328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.441328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.441328 (E_RNA) where: Base-Base interactions energy: -4.058 where: short stacking energy: -4.058 Base-Backbone interact. energy: -0.002 local terms energy: -23.381528 where: bonds (distance) C4'-P energy: -3.397 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -7.303 flat angles P-C4'-P energy: -4.783 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: 9, replica: 9 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -30.167991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.167991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.167991 (E_RNA) where: Base-Base interactions energy: -7.270 where: short stacking energy: -7.270 Base-Backbone interact. energy: -0.002 local terms energy: -22.895510 where: bonds (distance) C4'-P energy: -4.920 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.827 flat angles P-C4'-P energy: -1.905 tors. eta vs tors. theta energy: -2.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -29.273112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.273112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.273112 (E_RNA) where: Base-Base interactions energy: -4.703 where: short stacking energy: -4.703 Base-Backbone interact. energy: -0.004 local terms energy: -24.565329 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -3.767 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: 1, replica: 4 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -36.463164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.463164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.463164 (E_RNA) where: Base-Base interactions energy: -10.970 where: short stacking energy: -10.970 Base-Backbone interact. energy: -0.027 local terms energy: -25.466439 where: bonds (distance) C4'-P energy: -5.387 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -5.004 flat angles P-C4'-P energy: -5.228 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: 2, replica: 8 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -37.552675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.552675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.552675 (E_RNA) where: Base-Base interactions energy: -13.828 where: short stacking energy: -13.828 Base-Backbone interact. energy: -0.019 local terms energy: -23.705339 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.720 flat angles P-C4'-P energy: -3.684 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: 3, replica: 7 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -35.642132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.642132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.642132 (E_RNA) where: Base-Base interactions energy: -8.571 where: short stacking energy: -8.571 Base-Backbone interact. energy: -0.865 local terms energy: -26.205270 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.982 flat angles P-C4'-P energy: -4.363 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: 4, replica: 3 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -33.726932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.726932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.726932 (E_RNA) where: Base-Base interactions energy: -8.551 where: short stacking energy: -8.551 Base-Backbone interact. energy: -0.059 local terms energy: -25.116907 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.796 flat angles P-C4'-P energy: -4.867 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: 5, replica: 5 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -41.834031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.834031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.834031 (E_RNA) where: Base-Base interactions energy: -11.941 where: short stacking energy: -10.412 Base-Backbone interact. energy: -0.007 local terms energy: -29.885875 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.616 flat angles P-C4'-P energy: -5.016 tors. eta vs tors. theta energy: -5.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -29.076843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.076843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.076843 (E_RNA) where: Base-Base interactions energy: -2.650 where: short stacking energy: -3.450 Base-Backbone interact. energy: 0.396 local terms energy: -26.823525 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -7.376 flat angles P-C4'-P energy: -5.750 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: 7, replica: 2 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -39.072509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.072509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.072509 (E_RNA) where: Base-Base interactions energy: -12.422 where: short stacking energy: -12.422 Base-Backbone interact. energy: -0.001 local terms energy: -26.649781 where: bonds (distance) C4'-P energy: -5.186 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -4.169 flat angles P-C4'-P energy: -2.673 tors. eta vs tors. theta energy: -7.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -28.853099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.853099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.853099 (E_RNA) where: Base-Base interactions energy: -4.474 where: short stacking energy: -4.474 Base-Backbone interact. energy: -0.009 local terms energy: -24.370308 where: bonds (distance) C4'-P energy: -4.523 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -6.728 flat angles P-C4'-P energy: -3.263 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: 9, replica: 9 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -27.685474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.685474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.685474 (E_RNA) where: Base-Base interactions energy: -8.450 where: short stacking energy: -8.450 Base-Backbone interact. energy: -0.143 local terms energy: -19.092060 where: bonds (distance) C4'-P energy: -5.658 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -4.167 flat angles P-C4'-P energy: -4.689 tors. eta vs tors. theta energy: 1.596 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: 6 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -32.514011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.514011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.514011 (E_RNA) where: Base-Base interactions energy: -11.490 where: short stacking energy: -11.490 Base-Backbone interact. energy: -0.002 local terms energy: -21.022211 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.303 flat angles P-C4'-P energy: -5.486 tors. eta vs tors. theta energy: -0.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -40.041996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.041996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.041996 (E_RNA) where: Base-Base interactions energy: -11.450 where: short stacking energy: -11.450 Base-Backbone interact. energy: -0.703 local terms energy: -27.888666 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -7.308 flat angles P-C4'-P energy: -5.336 tors. eta vs tors. theta energy: -3.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -36.417577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.417577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.417577 (E_RNA) where: Base-Base interactions energy: -7.250 where: short stacking energy: -7.250 Base-Backbone interact. energy: -0.047 local terms energy: -29.120279 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.818 flat angles C4'-P-C4' energy: -4.692 flat angles P-C4'-P energy: -5.187 tors. eta vs tors. theta energy: -6.034 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: 3 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -44.140559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.140559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.140559 (E_RNA) where: Base-Base interactions energy: -15.940 where: short stacking energy: -15.940 Base-Backbone interact. energy: -0.007 local terms energy: -28.193877 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.018 flat angles P-C4'-P energy: -4.697 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: 4, replica: 7 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -34.349670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.349670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.349670 (E_RNA) where: Base-Base interactions energy: -10.240 where: short stacking energy: -10.240 Base-Backbone interact. energy: -0.003 local terms energy: -24.106718 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.304 flat angles P-C4'-P energy: -5.169 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: 1 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -35.167024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.167024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.167024 (E_RNA) where: Base-Base interactions energy: -8.293 where: short stacking energy: -8.293 Base-Backbone interact. energy: -0.001 local terms energy: -26.872729 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.957 flat angles P-C4'-P energy: -5.782 tors. eta vs tors. theta energy: -1.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -35.946404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.946404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.946404 (E_RNA) where: Base-Base interactions energy: -11.743 where: short stacking energy: -11.743 Base-Backbone interact. energy: -0.000 local terms energy: -24.203373 where: bonds (distance) C4'-P energy: -5.662 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -4.565 flat angles P-C4'-P energy: -3.636 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: 7, replica: 10 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -30.797848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.797848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.797848 (E_RNA) where: Base-Base interactions energy: -8.558 where: short stacking energy: -8.558 Base-Backbone interact. energy: 0.744 local terms energy: -22.983530 where: bonds (distance) C4'-P energy: -3.736 bonds (distance) P-C4' energy: -5.443 flat angles C4'-P-C4' energy: -6.905 flat angles P-C4'-P energy: -5.634 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: 8, replica: 2 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -30.480930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.480930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.480930 (E_RNA) where: Base-Base interactions energy: -9.591 where: short stacking energy: -9.591 Base-Backbone interact. energy: -0.049 local terms energy: -20.840402 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.689 flat angles P-C4'-P energy: -1.477 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: 9, replica: 6 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -30.059522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.059522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.059522 (E_RNA) where: Base-Base interactions energy: -5.580 where: short stacking energy: -5.580 Base-Backbone interact. energy: -0.000 local terms energy: -24.479365 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -5.401 flat angles C4'-P-C4' energy: -5.882 flat angles P-C4'-P energy: -2.917 tors. eta vs tors. theta energy: -4.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -35.131237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.131237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.131237 (E_RNA) where: Base-Base interactions energy: -14.101 where: short stacking energy: -14.101 Base-Backbone interact. energy: -0.012 local terms energy: -21.018021 where: bonds (distance) C4'-P energy: -3.061 bonds (distance) P-C4' energy: -5.745 flat angles C4'-P-C4' energy: -5.436 flat angles P-C4'-P energy: -3.336 tors. eta vs tors. theta energy: -3.440 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: 8 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -37.935920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.935920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.935920 (E_RNA) where: Base-Base interactions energy: -11.040 where: short stacking energy: -11.040 Base-Backbone interact. energy: -0.010 local terms energy: -26.886079 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -6.780 flat angles P-C4'-P energy: -3.571 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: 2, replica: 3 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -35.727427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.727427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.727427 (E_RNA) where: Base-Base interactions energy: -9.001 where: short stacking energy: -9.001 Base-Backbone interact. energy: -0.008 local terms energy: -26.718866 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -4.493 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: 3, replica: 4 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -36.216534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.216534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.216534 (E_RNA) where: Base-Base interactions energy: -11.886 where: short stacking energy: -11.886 Base-Backbone interact. energy: -0.013 local terms energy: -24.317993 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -7.366 flat angles P-C4'-P energy: -3.712 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: 4, replica: 1 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -35.352858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.352858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.352858 (E_RNA) where: Base-Base interactions energy: -10.564 where: short stacking energy: -10.564 Base-Backbone interact. energy: -0.000 local terms energy: -24.788600 where: bonds (distance) C4'-P energy: -5.326 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -6.864 flat angles P-C4'-P energy: -2.774 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: 5, replica: 7 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -32.144567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.144567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.144567 (E_RNA) where: Base-Base interactions energy: -10.895 where: short stacking energy: -10.895 Base-Backbone interact. energy: -0.245 local terms energy: -21.004665 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -5.496 flat angles P-C4'-P energy: -4.492 tors. eta vs tors. theta energy: 2.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -32.205792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.205792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.205792 (E_RNA) where: Base-Base interactions energy: -7.397 where: short stacking energy: -7.397 Base-Backbone interact. energy: -0.015 local terms energy: -24.794511 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.505 flat angles P-C4'-P energy: -3.857 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: 7, replica: 5 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -32.294752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.294752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.294752 (E_RNA) where: Base-Base interactions energy: -7.482 where: short stacking energy: -7.482 Base-Backbone interact. energy: -0.000 local terms energy: -24.812365 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -3.913 flat angles C4'-P-C4' energy: -7.075 flat angles P-C4'-P energy: -4.034 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: 8, replica: 6 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -30.116480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.116480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.116480 (E_RNA) where: Base-Base interactions energy: -8.965 where: short stacking energy: -8.965 Base-Backbone interact. energy: -0.014 local terms energy: -21.136852 where: bonds (distance) C4'-P energy: -5.558 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.525 flat angles P-C4'-P energy: -4.237 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: 9, replica: 2 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -28.635741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.635741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.635741 (E_RNA) where: Base-Base interactions energy: -2.660 where: short stacking energy: -2.660 Base-Backbone interact. energy: 0.289 local terms energy: -26.264045 where: bonds (distance) C4'-P energy: -5.959 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -4.410 flat angles P-C4'-P energy: -5.930 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: 10, replica: 9 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -32.150280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.150280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.150280 (E_RNA) where: Base-Base interactions energy: -9.602 where: short stacking energy: -9.602 Base-Backbone interact. energy: -0.059 local terms energy: -22.489299 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.027 flat angles P-C4'-P energy: -3.397 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: 1, replica: 8 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -42.459517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.459517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.459517 (E_RNA) where: Base-Base interactions energy: -16.069 where: short stacking energy: -16.069 Base-Backbone interact. energy: -0.000 local terms energy: -26.390196 where: bonds (distance) C4'-P energy: -3.758 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -4.438 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: 2, replica: 3 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -32.637002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.637002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.637002 (E_RNA) where: Base-Base interactions energy: -6.822 where: short stacking energy: -6.822 Base-Backbone interact. energy: 0.138 local terms energy: -25.953231 where: bonds (distance) C4'-P energy: -7.441 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -5.810 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -1.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -41.383997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.383997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.383997 (E_RNA) where: Base-Base interactions energy: -15.925 where: short stacking energy: -15.925 Base-Backbone interact. energy: -0.004 local terms energy: -25.454826 where: bonds (distance) C4'-P energy: -5.627 bonds (distance) P-C4' energy: -4.854 flat angles C4'-P-C4' energy: -6.666 flat angles P-C4'-P energy: -5.463 tors. eta vs tors. theta energy: -2.845 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: 1 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -43.041723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.041723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.041723 (E_RNA) where: Base-Base interactions energy: -11.684 where: short stacking energy: -11.684 Base-Backbone interact. energy: -0.000 local terms energy: -31.357347 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -7.016 flat angles P-C4'-P energy: -5.369 tors. eta vs tors. theta energy: -5.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -31.936905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.936905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.936905 (E_RNA) where: Base-Base interactions energy: -7.690 where: short stacking energy: -7.690 Base-Backbone interact. energy: 2.084 local terms energy: -26.330648 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -5.516 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: 7 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -36.955242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.955242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.955242 (E_RNA) where: Base-Base interactions energy: -11.240 where: short stacking energy: -11.331 Base-Backbone interact. energy: -0.003 local terms energy: -25.712348 where: bonds (distance) C4'-P energy: -5.727 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -6.298 flat angles P-C4'-P energy: -3.786 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: 7, replica: 6 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -33.709498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.709498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.709498 (E_RNA) where: Base-Base interactions energy: -9.694 where: short stacking energy: -9.126 Base-Backbone interact. energy: -0.102 local terms energy: -23.913946 where: bonds (distance) C4'-P energy: -3.239 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -6.180 flat angles P-C4'-P energy: -5.455 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: 8, replica: 5 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -31.629444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.629444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.629444 (E_RNA) where: Base-Base interactions energy: -6.666 where: short stacking energy: -6.666 Base-Backbone interact. energy: -0.189 local terms energy: -24.774538 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.832 flat angles P-C4'-P energy: -2.131 tors. eta vs tors. theta energy: -2.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -29.429861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.429861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.429861 (E_RNA) where: Base-Base interactions energy: -11.344 where: short stacking energy: -11.344 Base-Backbone interact. energy: -0.003 local terms energy: -18.082922 where: bonds (distance) C4'-P energy: -5.177 bonds (distance) P-C4' energy: -5.087 flat angles C4'-P-C4' energy: -2.077 flat angles P-C4'-P energy: -2.946 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: 10, replica: 2 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -30.432062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.432062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.432062 (E_RNA) where: Base-Base interactions energy: -9.149 where: short stacking energy: -9.149 Base-Backbone interact. energy: -0.016 local terms energy: -21.266779 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -1.906 tors. eta vs tors. theta energy: -1.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -40.306588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.306588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.306588 (E_RNA) where: Base-Base interactions energy: -12.219 where: short stacking energy: -12.219 Base-Backbone interact. energy: -0.047 local terms energy: -28.040484 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -6.645 flat angles P-C4'-P energy: -4.202 tors. eta vs tors. theta energy: -4.694 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: 4 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -35.432501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.432501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.432501 (E_RNA) where: Base-Base interactions energy: -11.328 where: short stacking energy: -11.328 Base-Backbone interact. energy: -0.001 local terms energy: -24.103415 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.600 flat angles C4'-P-C4' energy: -5.228 flat angles P-C4'-P energy: -4.321 tors. eta vs tors. theta energy: -1.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -32.256893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.256893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.256893 (E_RNA) where: Base-Base interactions energy: -7.773 where: short stacking energy: -5.751 Base-Backbone interact. energy: -0.050 local terms energy: -24.433613 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.371 flat angles P-C4'-P energy: -4.208 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: 4, replica: 10 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -38.309822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.309822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.309822 (E_RNA) where: Base-Base interactions energy: -13.936 where: short stacking energy: -13.936 Base-Backbone interact. energy: -0.001 local terms energy: -24.372995 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -4.928 flat angles P-C4'-P energy: -2.475 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: 5, replica: 1 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -35.885726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.885726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.885726 (E_RNA) where: Base-Base interactions energy: -9.954 where: short stacking energy: -9.954 Base-Backbone interact. energy: -0.054 local terms energy: -25.878089 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -7.005 flat angles P-C4'-P energy: -2.397 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: 6, replica: 6 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -31.064379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.064379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.064379 (E_RNA) where: Base-Base interactions energy: -5.211 where: short stacking energy: -5.211 Base-Backbone interact. energy: -0.000 local terms energy: -25.853331 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.795 flat angles P-C4'-P energy: -3.324 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: 7, replica: 7 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -33.398033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.398033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.398033 (E_RNA) where: Base-Base interactions energy: -10.959 where: short stacking energy: -10.959 Base-Backbone interact. energy: -0.027 local terms energy: -22.411942 where: bonds (distance) C4'-P energy: -3.658 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.586 flat angles P-C4'-P energy: -3.764 tors. eta vs tors. theta energy: -0.846 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: 8, replica: 9 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -36.034066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.034066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.034066 (E_RNA) where: Base-Base interactions energy: -9.107 where: short stacking energy: -9.107 Base-Backbone interact. energy: -0.000 local terms energy: -26.927498 where: bonds (distance) C4'-P energy: -4.688 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.761 flat angles P-C4'-P energy: -6.100 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: 9, replica: 5 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -28.274894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.274894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.274894 (E_RNA) where: Base-Base interactions energy: -3.708 where: short stacking energy: -3.708 Base-Backbone interact. energy: -0.048 local terms energy: -24.519083 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -6.465 flat angles P-C4'-P energy: -3.039 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: 10, replica: 2 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -31.314061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.314061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.314061 (E_RNA) where: Base-Base interactions energy: -12.220 where: short stacking energy: -12.220 Base-Backbone interact. energy: 0.827 local terms energy: -19.921677 where: bonds (distance) C4'-P energy: -2.626 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -4.772 flat angles P-C4'-P energy: -4.350 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: 1, replica: 4 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -38.922384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.922384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.922384 (E_RNA) where: Base-Base interactions energy: -9.781 where: short stacking energy: -9.781 Base-Backbone interact. energy: -0.000 local terms energy: -29.140823 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -5.971 flat angles P-C4'-P energy: -4.510 tors. eta vs tors. theta energy: -4.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -38.839815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.839815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.839815 (E_RNA) where: Base-Base interactions energy: -15.081 where: short stacking energy: -15.081 Base-Backbone interact. energy: -0.062 local terms energy: -23.697274 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.691 flat angles P-C4'-P energy: -4.113 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: 3, replica: 10 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -38.754406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.754406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.754406 (E_RNA) where: Base-Base interactions energy: -10.332 where: short stacking energy: -10.332 Base-Backbone interact. energy: -0.001 local terms energy: -28.421521 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.087 flat angles P-C4'-P energy: -5.526 tors. eta vs tors. theta energy: -5.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -33.690698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.690698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.690698 (E_RNA) where: Base-Base interactions energy: -10.636 where: short stacking energy: -10.636 Base-Backbone interact. energy: -0.001 local terms energy: -23.054039 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -6.777 flat angles P-C4'-P energy: -4.316 tors. eta vs tors. theta energy: -0.202 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: 6 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -37.688057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.688057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.688057 (E_RNA) where: Base-Base interactions energy: -9.579 where: short stacking energy: -9.579 Base-Backbone interact. energy: -0.005 local terms energy: -28.103320 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.913 flat angles P-C4'-P energy: -5.156 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: 6, replica: 1 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -28.977953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.977953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.977953 (E_RNA) where: Base-Base interactions energy: -4.957 where: short stacking energy: -4.957 Base-Backbone interact. energy: -0.017 local terms energy: -24.003468 where: bonds (distance) C4'-P energy: -5.426 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -4.759 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: 7, replica: 9 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -32.524140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.524140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.524140 (E_RNA) where: Base-Base interactions energy: -7.792 where: short stacking energy: -7.792 Base-Backbone interact. energy: -0.003 local terms energy: -24.729844 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -4.266 tors. eta vs tors. theta energy: -0.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -29.265838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.265838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.265838 (E_RNA) where: Base-Base interactions energy: -7.836 where: short stacking energy: -7.836 Base-Backbone interact. energy: -0.000 local terms energy: -21.430066 where: bonds (distance) C4'-P energy: -4.456 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -2.018 flat angles P-C4'-P energy: -5.546 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: 9, replica: 5 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -30.132010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.132010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.132010 (E_RNA) where: Base-Base interactions energy: -11.714 where: short stacking energy: -11.184 Base-Backbone interact. energy: -0.335 local terms energy: -18.082398 where: bonds (distance) C4'-P energy: -5.451 bonds (distance) P-C4' energy: -3.814 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -2.342 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: 10, replica: 2 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -32.016827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.016827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.016827 (E_RNA) where: Base-Base interactions energy: -6.707 where: short stacking energy: -6.707 Base-Backbone interact. energy: -0.175 local terms energy: -25.134722 where: bonds (distance) C4'-P energy: -4.418 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.205 flat angles P-C4'-P energy: -3.410 tors. eta vs tors. theta energy: -3.561 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: 4 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -44.250757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.250757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.250757 (E_RNA) where: Base-Base interactions energy: -16.008 where: short stacking energy: -16.008 Base-Backbone interact. energy: -0.068 local terms energy: -28.174374 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.788 flat angles P-C4'-P energy: -3.644 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: 2, replica: 10 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -42.251350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.251350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.251350 (E_RNA) where: Base-Base interactions energy: -12.537 where: short stacking energy: -11.044 Base-Backbone interact. energy: -0.021 local terms energy: -29.693665 where: bonds (distance) C4'-P energy: -6.013 bonds (distance) P-C4' energy: -6.718 flat angles C4'-P-C4' energy: -7.252 flat angles P-C4'-P energy: -5.675 tors. eta vs tors. theta energy: -4.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -37.418648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.418648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.418648 (E_RNA) where: Base-Base interactions energy: -13.264 where: short stacking energy: -13.264 Base-Backbone interact. energy: -0.142 local terms energy: -24.013015 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.545 flat angles P-C4'-P energy: -4.537 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: 4, replica: 6 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -33.487059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.487059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.487059 (E_RNA) where: Base-Base interactions energy: -9.003 where: short stacking energy: -9.003 Base-Backbone interact. energy: -0.108 local terms energy: -24.375896 where: bonds (distance) C4'-P energy: -5.636 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.810 flat angles P-C4'-P energy: -3.225 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: 5, replica: 3 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -30.962923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.962923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.962923 (E_RNA) where: Base-Base interactions energy: -8.431 where: short stacking energy: -6.935 Base-Backbone interact. energy: -0.057 local terms energy: -22.474650 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.564 flat angles P-C4'-P energy: -3.102 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: 6, replica: 9 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -34.630875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.630875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.630875 (E_RNA) where: Base-Base interactions energy: -9.222 where: short stacking energy: -9.222 Base-Backbone interact. energy: -0.077 local terms energy: -25.331353 where: bonds (distance) C4'-P energy: -4.660 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -4.886 flat angles P-C4'-P energy: -5.859 tors. eta vs tors. theta energy: -2.671 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: 7, replica: 1 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -28.666106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.666106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.666106 (E_RNA) where: Base-Base interactions energy: -4.749 where: short stacking energy: -4.749 Base-Backbone interact. energy: -0.084 local terms energy: -23.832578 where: bonds (distance) C4'-P energy: -5.426 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.489 flat angles P-C4'-P energy: -4.947 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: 8, replica: 5 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -27.892391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.892391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.892391 (E_RNA) where: Base-Base interactions energy: -6.962 where: short stacking energy: -6.962 Base-Backbone interact. energy: -0.106 local terms energy: -20.824261 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -5.832 flat angles P-C4'-P energy: -2.974 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: 9, replica: 7 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -31.756226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.756226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.756226 (E_RNA) where: Base-Base interactions energy: -11.446 where: short stacking energy: -11.446 Base-Backbone interact. energy: -0.209 local terms energy: -20.101317 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -6.326 flat angles C4'-P-C4' energy: -5.457 flat angles P-C4'-P energy: -4.177 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: 2 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -28.686010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.686010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.686010 (E_RNA) where: Base-Base interactions energy: -3.528 where: short stacking energy: -3.528 Base-Backbone interact. energy: -0.000 local terms energy: -25.158153 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -5.056 flat angles C4'-P-C4' energy: -6.074 flat angles P-C4'-P energy: -5.758 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: 1, replica: 10 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -43.138571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.138571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.138571 (E_RNA) where: Base-Base interactions energy: -15.834 where: short stacking energy: -15.834 Base-Backbone interact. energy: -0.001 local terms energy: -27.303564 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -5.738 flat angles P-C4'-P energy: -4.638 tors. eta vs tors. theta energy: -4.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -38.442187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.442187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.442187 (E_RNA) where: Base-Base interactions energy: -12.484 where: short stacking energy: -12.484 Base-Backbone interact. energy: -0.008 local terms energy: -25.950422 where: bonds (distance) C4'-P energy: -4.589 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.472 flat angles P-C4'-P energy: -5.515 tors. eta vs tors. theta energy: -1.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -36.303287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.303287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.303287 (E_RNA) where: Base-Base interactions energy: -11.661 where: short stacking energy: -11.661 Base-Backbone interact. energy: -0.002 local terms energy: -24.640138 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.407 flat angles P-C4'-P energy: -3.986 tors. eta vs tors. theta energy: -1.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -33.750583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.750583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.750583 (E_RNA) where: Base-Base interactions energy: -7.817 where: short stacking energy: -7.817 Base-Backbone interact. energy: -0.045 local terms energy: -25.888572 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -7.304 flat angles P-C4'-P energy: -4.683 tors. eta vs tors. theta energy: -1.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -35.945068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.945068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.945068 (E_RNA) where: Base-Base interactions energy: -11.608 where: short stacking energy: -11.608 Base-Backbone interact. energy: -0.004 local terms energy: -24.332339 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -5.121 flat angles C4'-P-C4' energy: -5.065 flat angles P-C4'-P energy: -3.314 tors. eta vs tors. theta energy: -4.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -32.793623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.793623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.793623 (E_RNA) where: Base-Base interactions energy: -9.879 where: short stacking energy: -9.879 Base-Backbone interact. energy: -0.008 local terms energy: -22.906019 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.850 flat angles P-C4'-P energy: -3.705 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: 5 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -35.443019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.443019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.443019 (E_RNA) where: Base-Base interactions energy: -11.300 where: short stacking energy: -11.609 Base-Backbone interact. energy: -0.001 local terms energy: -24.141247 where: bonds (distance) C4'-P energy: -4.618 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -7.539 flat angles P-C4'-P energy: -3.362 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: 8, replica: 1 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -30.745117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.745117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.745117 (E_RNA) where: Base-Base interactions energy: -4.802 where: short stacking energy: -4.802 Base-Backbone interact. energy: -0.002 local terms energy: -25.940765 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -2.847 flat angles P-C4'-P energy: -4.262 tors. eta vs tors. theta energy: -4.800 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: 410 Temperature: 1.300000 Total energy: -30.948158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.948158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.948158 (E_RNA) where: Base-Base interactions energy: -7.840 where: short stacking energy: -7.840 Base-Backbone interact. energy: -0.011 local terms energy: -23.097909 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -3.483 tors. eta vs tors. theta energy: -2.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -28.776610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.776610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.776610 (E_RNA) where: Base-Base interactions energy: -8.157 where: short stacking energy: -8.157 Base-Backbone interact. energy: -0.017 local terms energy: -20.602084 where: bonds (distance) C4'-P energy: -3.898 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -3.377 flat angles P-C4'-P energy: -4.342 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: 10 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -38.650144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.650144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.650144 (E_RNA) where: Base-Base interactions energy: -15.540 where: short stacking energy: -15.540 Base-Backbone interact. energy: -0.019 local terms energy: -23.091229 where: bonds (distance) C4'-P energy: -3.464 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -6.513 flat angles P-C4'-P energy: -4.690 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: 2, replica: 6 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -41.225024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.225024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.225024 (E_RNA) where: Base-Base interactions energy: -15.786 where: short stacking energy: -15.786 Base-Backbone interact. energy: -0.010 local terms energy: -25.429434 where: bonds (distance) C4'-P energy: -6.117 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.180 flat angles P-C4'-P energy: -2.679 tors. eta vs tors. theta energy: -1.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -36.438612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.438612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.438612 (E_RNA) where: Base-Base interactions energy: -13.131 where: short stacking energy: -13.131 Base-Backbone interact. energy: -0.000 local terms energy: -23.307493 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -4.119 flat angles C4'-P-C4' energy: -6.765 flat angles P-C4'-P energy: -2.798 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: 4, replica: 9 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -37.132363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.132363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.132363 (E_RNA) where: Base-Base interactions energy: -9.112 where: short stacking energy: -9.112 Base-Backbone interact. energy: -0.000 local terms energy: -28.020106 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -5.666 flat angles P-C4'-P energy: -3.600 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: 5, replica: 8 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -34.997592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.997592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.997592 (E_RNA) where: Base-Base interactions energy: -8.209 where: short stacking energy: -7.731 Base-Backbone interact. energy: -0.550 local terms energy: -26.238713 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.959 flat angles C4'-P-C4' energy: -5.848 flat angles P-C4'-P energy: -2.551 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: 6, replica: 5 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -34.632747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.632747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.632747 (E_RNA) where: Base-Base interactions energy: -10.432 where: short stacking energy: -10.432 Base-Backbone interact. energy: -0.000 local terms energy: -24.199888 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.583 flat angles P-C4'-P energy: -4.302 tors. eta vs tors. theta energy: -0.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -31.839670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.839670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.839670 (E_RNA) where: Base-Base interactions energy: -8.309 where: short stacking energy: -6.880 Base-Backbone interact. energy: -0.022 local terms energy: -23.508572 where: bonds (distance) C4'-P energy: -4.502 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -6.242 flat angles P-C4'-P energy: -4.869 tors. eta vs tors. theta energy: -1.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -27.946933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.946933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.946933 (E_RNA) where: Base-Base interactions energy: -3.673 where: short stacking energy: -3.673 Base-Backbone interact. energy: -0.007 local terms energy: -24.266946 where: bonds (distance) C4'-P energy: -5.558 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.365 flat angles P-C4'-P energy: -3.181 tors. eta vs tors. theta energy: -1.371 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: 1 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -28.087726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.087726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.087726 (E_RNA) where: Base-Base interactions energy: -5.625 where: short stacking energy: -5.625 Base-Backbone interact. energy: -0.043 local terms energy: -22.420275 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -4.041 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: 10, replica: 7 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -33.820374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.820374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.820374 (E_RNA) where: Base-Base interactions energy: -11.504 where: short stacking energy: -11.504 Base-Backbone interact. energy: -1.098 local terms energy: -21.218770 where: bonds (distance) C4'-P energy: -2.163 bonds (distance) P-C4' energy: -5.185 flat angles C4'-P-C4' energy: -6.322 flat angles P-C4'-P energy: -2.364 tors. eta vs tors. theta energy: -5.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -38.283525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.283525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.283525 (E_RNA) where: Base-Base interactions energy: -11.871 where: short stacking energy: -11.871 Base-Backbone interact. energy: -0.064 local terms energy: -26.348032 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -7.083 flat angles P-C4'-P energy: -4.555 tors. eta vs tors. theta energy: -1.299 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: 10 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -40.218911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.218911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.218911 (E_RNA) where: Base-Base interactions energy: -9.731 where: short stacking energy: -9.731 Base-Backbone interact. energy: -0.000 local terms energy: -30.487817 where: bonds (distance) C4'-P energy: -5.959 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.841 flat angles P-C4'-P energy: -3.810 tors. eta vs tors. theta energy: -7.110 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: 412 Temperature: 1.000000 Total energy: -39.903855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.903855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.903855 (E_RNA) where: Base-Base interactions energy: -14.732 where: short stacking energy: -14.732 Base-Backbone interact. energy: -0.002 local terms energy: -25.170092 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -4.949 flat angles P-C4'-P energy: -4.621 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: 4, replica: 4 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -38.121505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.121505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.121505 (E_RNA) where: Base-Base interactions energy: -12.083 where: short stacking energy: -12.083 Base-Backbone interact. energy: -0.073 local terms energy: -25.965352 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -6.383 flat angles P-C4'-P energy: -1.927 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: 5, replica: 5 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -32.046953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.046953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.046953 (E_RNA) where: Base-Base interactions energy: -7.956 where: short stacking energy: -7.956 Base-Backbone interact. energy: -0.000 local terms energy: -24.091240 where: bonds (distance) C4'-P energy: -4.607 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.560 flat angles P-C4'-P energy: -3.993 tors. eta vs tors. theta energy: -3.285 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: 8 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -33.134281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.134281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.134281 (E_RNA) where: Base-Base interactions energy: -7.701 where: short stacking energy: -7.701 Base-Backbone interact. energy: -0.003 local terms energy: -25.429981 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.455 flat angles P-C4'-P energy: -5.815 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: 2 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -34.630600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.630600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.630600 (E_RNA) where: Base-Base interactions energy: -10.796 where: short stacking energy: -10.796 Base-Backbone interact. energy: -0.089 local terms energy: -23.746055 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.526 flat angles C4'-P-C4' energy: -5.786 flat angles P-C4'-P energy: -3.984 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: 8, replica: 3 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -27.317605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.317605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.317605 (E_RNA) where: Base-Base interactions energy: -3.382 where: short stacking energy: -3.382 Base-Backbone interact. energy: -0.023 local terms energy: -23.912456 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.242 flat angles C4'-P-C4' energy: -4.359 flat angles P-C4'-P energy: -6.213 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: 7 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -26.531839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.531839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.531839 (E_RNA) where: Base-Base interactions energy: -5.241 where: short stacking energy: -5.241 Base-Backbone interact. energy: -0.012 local terms energy: -21.278701 where: bonds (distance) C4'-P energy: -2.673 bonds (distance) P-C4' energy: -3.783 flat angles C4'-P-C4' energy: -7.185 flat angles P-C4'-P energy: -5.585 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: 10, replica: 1 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -30.330249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.330249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.330249 (E_RNA) where: Base-Base interactions energy: -6.338 where: short stacking energy: -6.338 Base-Backbone interact. energy: -0.031 local terms energy: -23.961631 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -6.207 flat angles P-C4'-P energy: -2.955 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: 1, replica: 6 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -41.399573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.399573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.399573 (E_RNA) where: Base-Base interactions energy: -11.902 where: short stacking energy: -11.902 Base-Backbone interact. energy: -0.005 local terms energy: -29.492646 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.845 flat angles P-C4'-P energy: -5.807 tors. eta vs tors. theta energy: -4.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -40.168582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.168582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.168582 (E_RNA) where: Base-Base interactions energy: -14.317 where: short stacking energy: -14.317 Base-Backbone interact. energy: -0.000 local terms energy: -25.850927 where: bonds (distance) C4'-P energy: -5.023 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.539 flat angles P-C4'-P energy: -3.312 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: 10 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -42.431282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.431282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.431282 (E_RNA) where: Base-Base interactions energy: -15.959 where: short stacking energy: -15.959 Base-Backbone interact. energy: -0.000 local terms energy: -26.471956 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -4.557 flat angles C4'-P-C4' energy: -4.985 flat angles P-C4'-P energy: -4.149 tors. eta vs tors. theta energy: -6.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -34.576307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.576307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.576307 (E_RNA) where: Base-Base interactions energy: -9.550 where: short stacking energy: -9.550 Base-Backbone interact. energy: -0.064 local terms energy: -24.962307 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.033 flat angles P-C4'-P energy: -4.447 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: 5, replica: 4 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -30.749896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.749896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.749896 (E_RNA) where: Base-Base interactions energy: -9.006 where: short stacking energy: -9.006 Base-Backbone interact. energy: 0.571 local terms energy: -22.314286 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -5.379 flat angles C4'-P-C4' energy: -6.409 flat angles P-C4'-P energy: -4.326 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: 6, replica: 2 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -33.484951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.484951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.484951 (E_RNA) where: Base-Base interactions energy: -9.242 where: short stacking energy: -8.611 Base-Backbone interact. energy: -0.057 local terms energy: -24.186414 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -4.816 flat angles P-C4'-P energy: -3.780 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: 7, replica: 8 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -38.245976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.245976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.245976 (E_RNA) where: Base-Base interactions energy: -11.484 where: short stacking energy: -11.484 Base-Backbone interact. energy: -0.034 local terms energy: -26.728180 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.116 flat angles P-C4'-P energy: -4.337 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: 8, replica: 7 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -33.774629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.774629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.774629 (E_RNA) where: Base-Base interactions energy: -9.283 where: short stacking energy: -9.283 Base-Backbone interact. energy: 1.024 local terms energy: -25.515811 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.652 flat angles P-C4'-P energy: -4.722 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: 9, replica: 3 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -34.573168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.573168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.573168 (E_RNA) where: Base-Base interactions energy: -9.198 where: short stacking energy: -9.198 Base-Backbone interact. energy: -0.002 local terms energy: -25.373097 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.199 flat angles P-C4'-P energy: -3.494 tors. eta vs tors. theta energy: -3.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -29.482982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.482982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.482982 (E_RNA) where: Base-Base interactions energy: -7.051 where: short stacking energy: -7.051 Base-Backbone interact. energy: -0.029 local terms energy: -22.402958 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -5.921 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: 1, replica: 9 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -45.649425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.649425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.649425 (E_RNA) where: Base-Base interactions energy: -16.707 where: short stacking energy: -15.107 Base-Backbone interact. energy: -0.000 local terms energy: -28.942242 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -5.828 flat angles P-C4'-P energy: -4.985 tors. eta vs tors. theta energy: -5.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -34.821085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.821085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.821085 (E_RNA) where: Base-Base interactions energy: -7.025 where: short stacking energy: -7.025 Base-Backbone interact. energy: -0.023 local terms energy: -27.772716 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -6.600 flat angles P-C4'-P energy: -5.795 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: 3, replica: 5 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -34.105475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.105475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.105475 (E_RNA) where: Base-Base interactions energy: -8.467 where: short stacking energy: -8.467 Base-Backbone interact. energy: -0.000 local terms energy: -25.638277 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.466 flat angles P-C4'-P energy: -4.692 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: 4, replica: 10 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -33.522434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.522434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.522434 (E_RNA) where: Base-Base interactions energy: -6.370 where: short stacking energy: -6.370 Base-Backbone interact. energy: -0.696 local terms energy: -26.456551 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.974 flat angles P-C4'-P energy: -4.025 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: 5, replica: 2 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -33.610397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.610397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.610397 (E_RNA) where: Base-Base interactions energy: -7.800 where: short stacking energy: -7.800 Base-Backbone interact. energy: -0.015 local terms energy: -25.795457 where: bonds (distance) C4'-P energy: -5.847 bonds (distance) P-C4' energy: -6.010 flat angles C4'-P-C4' energy: -7.327 flat angles P-C4'-P energy: -5.013 tors. eta vs tors. theta energy: -1.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -35.521732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.521732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.521732 (E_RNA) where: Base-Base interactions energy: -8.445 where: short stacking energy: -8.445 Base-Backbone interact. energy: -0.000 local terms energy: -27.076917 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.600 flat angles P-C4'-P energy: -5.026 tors. eta vs tors. theta energy: -1.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -35.168293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.168293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.168293 (E_RNA) where: Base-Base interactions energy: -8.709 where: short stacking energy: -8.709 Base-Backbone interact. energy: -0.032 local terms energy: -26.426392 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.021 flat angles P-C4'-P energy: -4.132 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: 8 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -32.403523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.403523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.403523 (E_RNA) where: Base-Base interactions energy: -8.506 where: short stacking energy: -8.506 Base-Backbone interact. energy: -0.000 local terms energy: -23.897813 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -5.422 flat angles P-C4'-P energy: -4.455 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: 9, replica: 3 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -26.978923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.978923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.978923 (E_RNA) where: Base-Base interactions energy: -4.735 where: short stacking energy: -4.735 Base-Backbone interact. energy: -0.152 local terms energy: -22.092387 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.511 flat angles P-C4'-P energy: -3.981 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: 10, replica: 1 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -29.677830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.677830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.677830 (E_RNA) where: Base-Base interactions energy: -3.789 where: short stacking energy: -3.789 Base-Backbone interact. energy: -0.062 local terms energy: -25.826722 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.978 flat angles P-C4'-P energy: -5.626 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: 9 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -38.180202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.180202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.180202 (E_RNA) where: Base-Base interactions energy: -11.746 where: short stacking energy: -11.746 Base-Backbone interact. energy: -0.010 local terms energy: -26.423746 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.072 flat angles P-C4'-P energy: -4.843 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: 2, replica: 5 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -38.672275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.672275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.672275 (E_RNA) where: Base-Base interactions energy: -12.583 where: short stacking energy: -12.583 Base-Backbone interact. energy: -0.000 local terms energy: -26.089262 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.958 flat angles P-C4'-P energy: -2.624 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: 3, replica: 6 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -35.971244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.971244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.971244 (E_RNA) where: Base-Base interactions energy: -7.947 where: short stacking energy: -7.947 Base-Backbone interact. energy: -0.000 local terms energy: -28.023593 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.130 flat angles P-C4'-P energy: -5.895 tors. eta vs tors. theta energy: -0.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -36.305657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.305657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.305657 (E_RNA) where: Base-Base interactions energy: -10.818 where: short stacking energy: -10.818 Base-Backbone interact. energy: -0.065 local terms energy: -25.422507 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -6.955 flat angles P-C4'-P energy: -2.500 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: 10 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -33.318295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.318295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.318295 (E_RNA) where: Base-Base interactions energy: -10.494 where: short stacking energy: -10.494 Base-Backbone interact. energy: -0.060 local terms energy: -22.765148 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.764 flat angles P-C4'-P energy: -4.486 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: 6, replica: 7 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -31.728096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.728096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.728096 (E_RNA) where: Base-Base interactions energy: -5.199 where: short stacking energy: -5.199 Base-Backbone interact. energy: -0.033 local terms energy: -26.496335 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -4.608 flat angles P-C4'-P energy: -5.094 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: 7, replica: 4 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -33.786416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.786416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.786416 (E_RNA) where: Base-Base interactions energy: -10.589 where: short stacking energy: -10.589 Base-Backbone interact. energy: -0.579 local terms energy: -22.618866 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.497 flat angles P-C4'-P energy: -2.046 tors. eta vs tors. theta energy: -0.724 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: 8, replica: 3 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -32.213852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.213852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.213852 (E_RNA) where: Base-Base interactions energy: -6.734 where: short stacking energy: -6.734 Base-Backbone interact. energy: -0.000 local terms energy: -25.479396 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.106 flat angles P-C4'-P energy: -3.482 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: 9, replica: 8 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -28.664914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.664914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.664914 (E_RNA) where: Base-Base interactions energy: -6.518 where: short stacking energy: -6.518 Base-Backbone interact. energy: -0.104 local terms energy: -22.042954 where: bonds (distance) C4'-P energy: -5.132 bonds (distance) P-C4' energy: -3.992 flat angles C4'-P-C4' energy: -6.480 flat angles P-C4'-P energy: -5.986 tors. eta vs tors. theta energy: -0.453 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: 10, replica: 1 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -30.094707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.094707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.094707 (E_RNA) where: Base-Base interactions energy: -6.417 where: short stacking energy: -6.417 Base-Backbone interact. energy: -0.001 local terms energy: -23.676539 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -6.831 flat angles P-C4'-P energy: -3.159 tors. eta vs tors. theta energy: -0.854 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: 5 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -36.186328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.186328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.186328 (E_RNA) where: Base-Base interactions energy: -10.630 where: short stacking energy: -10.630 Base-Backbone interact. energy: -0.658 local terms energy: -24.898300 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.418 flat angles P-C4'-P energy: -3.457 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: 2, replica: 9 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -38.666113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.666113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.666113 (E_RNA) where: Base-Base interactions energy: -11.205 where: short stacking energy: -11.205 Base-Backbone interact. energy: -0.004 local terms energy: -27.457530 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -5.651 flat angles P-C4'-P energy: -4.621 tors. eta vs tors. theta energy: -4.094 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: 2 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -34.892455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.892455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.892455 (E_RNA) where: Base-Base interactions energy: -11.827 where: short stacking energy: -11.827 Base-Backbone interact. energy: -0.009 local terms energy: -23.056743 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -7.147 flat angles P-C4'-P energy: -4.781 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: 4, replica: 6 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -32.393164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.393164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.393164 (E_RNA) where: Base-Base interactions energy: -7.343 where: short stacking energy: -7.343 Base-Backbone interact. energy: -0.912 local terms energy: -24.138930 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -4.768 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -5.528 tors. eta vs tors. theta energy: -3.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -33.582972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.582972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.582972 (E_RNA) where: Base-Base interactions energy: -8.615 where: short stacking energy: -8.615 Base-Backbone interact. energy: -0.002 local terms energy: -24.966677 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.537 flat angles P-C4'-P energy: -4.471 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: 6, replica: 10 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -38.307866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.307866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.307866 (E_RNA) where: Base-Base interactions energy: -12.764 where: short stacking energy: -12.764 Base-Backbone interact. energy: -0.319 local terms energy: -25.225098 where: bonds (distance) C4'-P energy: -5.193 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.285 flat angles P-C4'-P energy: -1.520 tors. eta vs tors. theta energy: -6.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -30.338606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.338606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.338606 (E_RNA) where: Base-Base interactions energy: -8.511 where: short stacking energy: -8.511 Base-Backbone interact. energy: -0.053 local terms energy: -21.774811 where: bonds (distance) C4'-P energy: -6.257 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -3.597 flat angles P-C4'-P energy: -4.822 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: 8, replica: 4 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -36.049554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.049554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.049554 (E_RNA) where: Base-Base interactions energy: -9.680 where: short stacking energy: -9.680 Base-Backbone interact. energy: -0.003 local terms energy: -26.366225 where: bonds (distance) C4'-P energy: -5.380 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.630 flat angles P-C4'-P energy: -5.037 tors. eta vs tors. theta energy: -2.523 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: 1 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -31.114808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.114808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.114808 (E_RNA) where: Base-Base interactions energy: -7.520 where: short stacking energy: -7.520 Base-Backbone interact. energy: -0.061 local terms energy: -23.533672 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -6.409 flat angles P-C4'-P energy: -4.218 tors. eta vs tors. theta energy: -0.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -27.092634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.092634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.092634 (E_RNA) where: Base-Base interactions energy: -4.801 where: short stacking energy: -4.564 Base-Backbone interact. energy: -0.069 local terms energy: -22.223118 where: bonds (distance) C4'-P energy: -5.480 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -4.246 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: 5 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -35.221745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.221745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.221745 (E_RNA) where: Base-Base interactions energy: -10.886 where: short stacking energy: -10.886 Base-Backbone interact. energy: -0.003 local terms energy: -24.332918 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.072 flat angles P-C4'-P energy: -2.260 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: 2, replica: 2 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -32.430323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.430323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.430323 (E_RNA) where: Base-Base interactions energy: -10.386 where: short stacking energy: -10.386 Base-Backbone interact. energy: -0.652 local terms energy: -21.392701 where: bonds (distance) C4'-P energy: -5.235 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.204 flat angles P-C4'-P energy: -3.717 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: 3, replica: 9 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -36.599914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.599914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.599914 (E_RNA) where: Base-Base interactions energy: -9.997 where: short stacking energy: -9.997 Base-Backbone interact. energy: -0.003 local terms energy: -26.600049 where: bonds (distance) C4'-P energy: -5.297 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.897 flat angles P-C4'-P energy: -5.201 tors. eta vs tors. theta energy: -3.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -37.649880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.649880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.649880 (E_RNA) where: Base-Base interactions energy: -11.196 where: short stacking energy: -11.196 Base-Backbone interact. energy: -0.001 local terms energy: -26.453512 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -6.499 flat angles P-C4'-P energy: -4.153 tors. eta vs tors. theta energy: -2.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -35.267963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.267963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.267963 (E_RNA) where: Base-Base interactions energy: -10.407 where: short stacking energy: -10.407 Base-Backbone interact. energy: -0.006 local terms energy: -24.854443 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.109 flat angles C4'-P-C4' energy: -5.702 flat angles P-C4'-P energy: -4.085 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: 417 Temperature: 1.150000 Total energy: -36.675384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.675384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.675384 (E_RNA) where: Base-Base interactions energy: -10.330 where: short stacking energy: -10.388 Base-Backbone interact. energy: -0.007 local terms energy: -26.338252 where: bonds (distance) C4'-P energy: -4.590 bonds (distance) P-C4' energy: -5.582 flat angles C4'-P-C4' energy: -4.356 flat angles P-C4'-P energy: -6.481 tors. eta vs tors. theta energy: -5.329 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: 7, replica: 10 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -29.027383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.027383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.027383 (E_RNA) where: Base-Base interactions energy: -7.378 where: short stacking energy: -7.378 Base-Backbone interact. energy: -0.001 local terms energy: -21.648835 where: bonds (distance) C4'-P energy: -5.603 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.011 flat angles P-C4'-P energy: -3.630 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: 8, replica: 1 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -31.344625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.344625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.344625 (E_RNA) where: Base-Base interactions energy: -6.496 where: short stacking energy: -6.496 Base-Backbone interact. energy: -0.092 local terms energy: -24.756487 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.873 flat angles P-C4'-P energy: -4.336 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: 9, replica: 4 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -29.933031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.933031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.933031 (E_RNA) where: Base-Base interactions energy: -6.336 where: short stacking energy: -6.336 Base-Backbone interact. energy: -0.000 local terms energy: -23.596376 where: bonds (distance) C4'-P energy: -6.126 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -6.068 flat angles P-C4'-P energy: -4.602 tors. eta vs tors. theta energy: -0.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -34.200480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.200480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.200480 (E_RNA) where: Base-Base interactions energy: -10.525 where: short stacking energy: -10.525 Base-Backbone interact. energy: -0.000 local terms energy: -23.675596 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -5.870 flat angles P-C4'-P energy: -3.659 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: 1, replica: 2 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -34.691263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.691263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.691263 (E_RNA) where: Base-Base interactions energy: -8.749 where: short stacking energy: -8.749 Base-Backbone interact. energy: -0.011 local terms energy: -25.931233 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.235 flat angles P-C4'-P energy: -5.187 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: 2, replica: 5 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -37.946496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.946496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.946496 (E_RNA) where: Base-Base interactions energy: -10.871 where: short stacking energy: -10.718 Base-Backbone interact. energy: -0.122 local terms energy: -26.954037 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -6.866 flat angles P-C4'-P energy: -4.367 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: 3, replica: 9 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -32.585603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.585603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.585603 (E_RNA) where: Base-Base interactions energy: -9.051 where: short stacking energy: -9.051 Base-Backbone interact. energy: -0.967 local terms energy: -22.567561 where: bonds (distance) C4'-P energy: -5.343 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.775 flat angles P-C4'-P energy: -3.061 tors. eta vs tors. theta energy: -0.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -32.912519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.912519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.912519 (E_RNA) where: Base-Base interactions energy: -10.707 where: short stacking energy: -10.707 Base-Backbone interact. energy: -0.049 local terms energy: -22.156558 where: bonds (distance) C4'-P energy: -4.590 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -6.128 flat angles P-C4'-P energy: -3.414 tors. eta vs tors. theta energy: -1.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -30.563945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.563945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.563945 (E_RNA) where: Base-Base interactions energy: -6.337 where: short stacking energy: -6.337 Base-Backbone interact. energy: -0.003 local terms energy: -24.224446 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -6.495 flat angles P-C4'-P energy: -5.771 tors. eta vs tors. theta energy: 0.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -33.872115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.872115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.872115 (E_RNA) where: Base-Base interactions energy: -10.584 where: short stacking energy: -10.584 Base-Backbone interact. energy: -0.055 local terms energy: -23.233088 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.330 flat angles P-C4'-P energy: -1.375 tors. eta vs tors. theta energy: -1.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -34.474640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.474640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.474640 (E_RNA) where: Base-Base interactions energy: -11.167 where: short stacking energy: -10.944 Base-Backbone interact. energy: -0.005 local terms energy: -23.302765 where: bonds (distance) C4'-P energy: -2.752 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -5.067 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: 8, replica: 10 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -32.254993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.254993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.254993 (E_RNA) where: Base-Base interactions energy: -6.136 where: short stacking energy: -6.136 Base-Backbone interact. energy: -0.059 local terms energy: -26.060118 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -4.297 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: 8 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -27.772892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.772892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.772892 (E_RNA) where: Base-Base interactions energy: -3.878 where: short stacking energy: -3.878 Base-Backbone interact. energy: -0.085 local terms energy: -23.810062 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -6.103 flat angles C4'-P-C4' energy: -6.011 flat angles P-C4'-P energy: -4.753 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: 10, replica: 4 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -31.377348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.377348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.377348 (E_RNA) where: Base-Base interactions energy: -8.268 where: short stacking energy: -8.268 Base-Backbone interact. energy: -0.081 local terms energy: -23.028282 where: bonds (distance) C4'-P energy: -6.845 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -6.200 flat angles P-C4'-P energy: -3.905 tors. eta vs tors. theta energy: 1.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -40.615298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.615298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.615298 (E_RNA) where: Base-Base interactions energy: -15.089 where: short stacking energy: -15.089 Base-Backbone interact. energy: -0.151 local terms energy: -25.375587 where: bonds (distance) C4'-P energy: -5.015 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -6.428 flat angles P-C4'-P energy: -5.369 tors. eta vs tors. theta energy: -1.516 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: 2, replica: 9 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -42.419306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.419306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.419306 (E_RNA) where: Base-Base interactions energy: -12.192 where: short stacking energy: -10.861 Base-Backbone interact. energy: -0.026 local terms energy: -30.201778 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -6.790 flat angles C4'-P-C4' energy: -6.071 flat angles P-C4'-P energy: -5.267 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: 5 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -37.326524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.326524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.326524 (E_RNA) where: Base-Base interactions energy: -15.293 where: short stacking energy: -15.293 Base-Backbone interact. energy: -0.001 local terms energy: -22.032877 where: bonds (distance) C4'-P energy: -5.806 bonds (distance) P-C4' energy: -4.501 flat angles C4'-P-C4' energy: -5.786 flat angles P-C4'-P energy: -2.836 tors. eta vs tors. theta energy: -3.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -37.422326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.422326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.422326 (E_RNA) where: Base-Base interactions energy: -11.195 where: short stacking energy: -11.195 Base-Backbone interact. energy: -0.919 local terms energy: -25.307895 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -6.225 flat angles C4'-P-C4' energy: -6.816 flat angles P-C4'-P energy: -4.668 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: 5, replica: 7 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -36.768682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.768682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.768682 (E_RNA) where: Base-Base interactions energy: -11.600 where: short stacking energy: -11.600 Base-Backbone interact. energy: -0.000 local terms energy: -25.168547 where: bonds (distance) C4'-P energy: -4.829 bonds (distance) P-C4' energy: -5.964 flat angles C4'-P-C4' energy: -5.769 flat angles P-C4'-P energy: -4.174 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: 6, replica: 1 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -34.442299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.442299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.442299 (E_RNA) where: Base-Base interactions energy: -5.427 where: short stacking energy: -5.427 Base-Backbone interact. energy: 0.629 local terms energy: -29.644518 where: bonds (distance) C4'-P energy: -5.840 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.448 flat angles P-C4'-P energy: -4.574 tors. eta vs tors. theta energy: -4.219 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: 3 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -33.327105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.327105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.327105 (E_RNA) where: Base-Base interactions energy: -7.590 where: short stacking energy: -7.590 Base-Backbone interact. energy: -0.109 local terms energy: -25.628704 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -5.680 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: 8 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -28.001331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.001331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.001331 (E_RNA) where: Base-Base interactions energy: -6.691 where: short stacking energy: -6.691 Base-Backbone interact. energy: -0.001 local terms energy: -21.309794 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -4.955 flat angles C4'-P-C4' energy: -4.184 flat angles P-C4'-P energy: -3.759 tors. eta vs tors. theta energy: -2.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -31.408407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.408407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.408407 (E_RNA) where: Base-Base interactions energy: -11.519 where: short stacking energy: -11.519 Base-Backbone interact. energy: -0.036 local terms energy: -19.853380 where: bonds (distance) C4'-P energy: -4.356 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -5.364 flat angles P-C4'-P energy: -2.236 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: 10, replica: 4 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -31.493756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.493756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.493756 (E_RNA) where: Base-Base interactions energy: -6.575 where: short stacking energy: -6.575 Base-Backbone interact. energy: -1.174 local terms energy: -23.744056 where: bonds (distance) C4'-P energy: -5.209 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.953 flat angles P-C4'-P energy: -3.294 tors. eta vs tors. theta energy: -1.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -37.873282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.873282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.873282 (E_RNA) where: Base-Base interactions energy: -10.342 where: short stacking energy: -10.827 Base-Backbone interact. energy: -1.185 local terms energy: -26.346068 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.665 flat angles P-C4'-P energy: -3.806 tors. eta vs tors. theta energy: -1.681 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: 2, replica: 2 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -35.882365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.882365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.882365 (E_RNA) where: Base-Base interactions energy: -9.434 where: short stacking energy: -9.434 Base-Backbone interact. energy: -0.000 local terms energy: -26.448295 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -3.393 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: 3, replica: 6 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -30.230423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.230423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.230423 (E_RNA) where: Base-Base interactions energy: -10.608 where: short stacking energy: -10.608 Base-Backbone interact. energy: -0.003 local terms energy: -19.618788 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -3.574 flat angles P-C4'-P energy: -2.787 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: 4, replica: 5 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -35.736195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.736195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.736195 (E_RNA) where: Base-Base interactions energy: -14.680 where: short stacking energy: -10.954 Base-Backbone interact. energy: -0.024 local terms energy: -21.032182 where: bonds (distance) C4'-P energy: -2.159 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -6.752 flat angles P-C4'-P energy: -2.498 tors. eta vs tors. theta energy: -2.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -32.461167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.461167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.461167 (E_RNA) where: Base-Base interactions energy: -9.933 where: short stacking energy: -9.933 Base-Backbone interact. energy: 0.712 local terms energy: -23.240489 where: bonds (distance) C4'-P energy: -5.085 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.774 flat angles P-C4'-P energy: -0.666 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: 6, replica: 7 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -33.587642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.587642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.587642 (E_RNA) where: Base-Base interactions energy: -10.838 where: short stacking energy: -10.586 Base-Backbone interact. energy: -0.103 local terms energy: -22.647066 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -4.333 flat angles P-C4'-P energy: -2.994 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: 7, replica: 3 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -33.270197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.270197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.270197 (E_RNA) where: Base-Base interactions energy: -10.069 where: short stacking energy: -10.069 Base-Backbone interact. energy: -0.000 local terms energy: -23.201576 where: bonds (distance) C4'-P energy: -2.242 bonds (distance) P-C4' energy: -5.376 flat angles C4'-P-C4' energy: -6.341 flat angles P-C4'-P energy: -5.142 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: 8, replica: 8 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -31.550393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.550393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.550393 (E_RNA) where: Base-Base interactions energy: -7.246 where: short stacking energy: -7.246 Base-Backbone interact. energy: -0.000 local terms energy: -24.304590 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.806 flat angles P-C4'-P energy: -4.691 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: 9, replica: 10 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -30.859312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.859312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.859312 (E_RNA) where: Base-Base interactions energy: -6.737 where: short stacking energy: -5.055 Base-Backbone interact. energy: -0.052 local terms energy: -24.070237 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -3.982 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: 10, replica: 4 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -29.451127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.451127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.451127 (E_RNA) where: Base-Base interactions energy: -7.302 where: short stacking energy: -7.302 Base-Backbone interact. energy: -0.125 local terms energy: -22.023528 where: bonds (distance) C4'-P energy: -6.722 bonds (distance) P-C4' energy: -6.075 flat angles C4'-P-C4' energy: -3.635 flat angles P-C4'-P energy: -3.676 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: 1, replica: 9 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -37.062236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.062236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.062236 (E_RNA) where: Base-Base interactions energy: -10.231 where: short stacking energy: -9.379 Base-Backbone interact. energy: 0.602 local terms energy: -27.432766 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: -4.340 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: 2, replica: 6 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -41.340750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.340750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.340750 (E_RNA) where: Base-Base interactions energy: -15.096 where: short stacking energy: -15.096 Base-Backbone interact. energy: -0.001 local terms energy: -26.243595 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.307 flat angles P-C4'-P energy: -5.541 tors. eta vs tors. theta energy: -2.044 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: 2 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -35.340507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.340507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.340507 (E_RNA) where: Base-Base interactions energy: -9.549 where: short stacking energy: -9.549 Base-Backbone interact. energy: -0.008 local terms energy: -25.783523 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -6.050 flat angles P-C4'-P energy: -5.657 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: 4, replica: 1 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -32.811811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.811811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.811811 (E_RNA) where: Base-Base interactions energy: -7.871 where: short stacking energy: -7.871 Base-Backbone interact. energy: -0.004 local terms energy: -24.936312 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -5.263 flat angles P-C4'-P energy: -5.219 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: 5 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -30.736618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.736618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.736618 (E_RNA) where: Base-Base interactions energy: -7.857 where: short stacking energy: -7.857 Base-Backbone interact. energy: -0.725 local terms energy: -22.154125 where: bonds (distance) C4'-P energy: -3.935 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.992 flat angles P-C4'-P energy: -3.834 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: 6, replica: 3 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -34.638178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.638178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.638178 (E_RNA) where: Base-Base interactions energy: -10.489 where: short stacking energy: -10.489 Base-Backbone interact. energy: -0.056 local terms energy: -24.092989 where: bonds (distance) C4'-P energy: -5.426 bonds (distance) P-C4' energy: -6.010 flat angles C4'-P-C4' energy: -6.320 flat angles P-C4'-P energy: -4.492 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: 7, replica: 7 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -28.167841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.167841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.167841 (E_RNA) where: Base-Base interactions energy: -7.942 where: short stacking energy: -7.942 Base-Backbone interact. energy: -0.005 local terms energy: -20.220421 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -6.197 flat angles C4'-P-C4' energy: -4.506 flat angles P-C4'-P energy: -3.354 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: 8, replica: 10 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -33.349888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.349888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.349888 (E_RNA) where: Base-Base interactions energy: -10.592 where: short stacking energy: -10.592 Base-Backbone interact. energy: 0.152 local terms energy: -22.909640 where: bonds (distance) C4'-P energy: -4.589 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -6.237 flat angles P-C4'-P energy: -4.070 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: 9, replica: 8 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -29.761187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.761187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.761187 (E_RNA) where: Base-Base interactions energy: -6.439 where: short stacking energy: -6.439 Base-Backbone interact. energy: -0.114 local terms energy: -23.208401 where: bonds (distance) C4'-P energy: -5.662 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -4.391 flat angles P-C4'-P energy: -2.824 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: 10, replica: 4 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -27.578232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.578232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.578232 (E_RNA) where: Base-Base interactions energy: -8.321 where: short stacking energy: -8.321 Base-Backbone interact. energy: -0.076 local terms energy: -19.182022 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -3.413 flat angles C4'-P-C4' energy: -6.546 flat angles P-C4'-P energy: -2.049 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: 9 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -42.387579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.387579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.387579 (E_RNA) where: Base-Base interactions energy: -10.430 where: short stacking energy: -10.430 Base-Backbone interact. energy: -0.000 local terms energy: -31.956729 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.103 flat angles C4'-P-C4' energy: -6.630 flat angles P-C4'-P energy: -4.948 tors. eta vs tors. theta energy: -7.592 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: 2, replica: 6 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -34.740068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.740068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.740068 (E_RNA) where: Base-Base interactions energy: -11.290 where: short stacking energy: -11.290 Base-Backbone interact. energy: -0.000 local terms energy: -23.450120 where: bonds (distance) C4'-P energy: -4.134 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -7.169 flat angles P-C4'-P energy: -5.292 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: 3, replica: 1 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -38.053742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.053742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.053742 (E_RNA) where: Base-Base interactions energy: -10.173 where: short stacking energy: -10.173 Base-Backbone interact. energy: -0.000 local terms energy: -27.880950 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -7.073 flat angles P-C4'-P energy: -5.071 tors. eta vs tors. theta energy: -3.552 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: 2 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -34.062229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.062229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.062229 (E_RNA) where: Base-Base interactions energy: -11.775 where: short stacking energy: -11.775 Base-Backbone interact. energy: -0.001 local terms energy: -22.286083 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -5.154 flat angles C4'-P-C4' energy: -6.163 flat angles P-C4'-P energy: -3.976 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: 5, replica: 3 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -30.429273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.429273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.429273 (E_RNA) where: Base-Base interactions energy: -9.040 where: short stacking energy: -9.040 Base-Backbone interact. energy: -0.007 local terms energy: -21.381870 where: bonds (distance) C4'-P energy: -4.669 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -4.170 flat angles P-C4'-P energy: -3.091 tors. eta vs tors. theta energy: -2.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -32.057843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.057843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.057843 (E_RNA) where: Base-Base interactions energy: -6.324 where: short stacking energy: -6.324 Base-Backbone interact. energy: -0.002 local terms energy: -25.731880 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -3.756 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: 7, replica: 10 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -34.567624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.567624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.567624 (E_RNA) where: Base-Base interactions energy: -12.124 where: short stacking energy: -11.697 Base-Backbone interact. energy: -0.000 local terms energy: -22.442849 where: bonds (distance) C4'-P energy: -5.719 bonds (distance) P-C4' energy: -7.253 flat angles C4'-P-C4' energy: -3.578 flat angles P-C4'-P energy: -4.026 tors. eta vs tors. theta energy: -1.866 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: 7 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -30.964178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.964178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.964178 (E_RNA) where: Base-Base interactions energy: -8.816 where: short stacking energy: -8.816 Base-Backbone interact. energy: -0.001 local terms energy: -22.147396 where: bonds (distance) C4'-P energy: -5.893 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -4.530 flat angles P-C4'-P energy: -2.969 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: 9, replica: 4 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -26.652912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.652912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.652912 (E_RNA) where: Base-Base interactions energy: -3.906 where: short stacking energy: -3.906 Base-Backbone interact. energy: -0.093 local terms energy: -22.653805 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.738 flat angles P-C4'-P energy: -3.426 tors. eta vs tors. theta energy: 0.494 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: 8 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -27.316802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.316802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.316802 (E_RNA) where: Base-Base interactions energy: -3.600 where: short stacking energy: -3.600 Base-Backbone interact. energy: -0.020 local terms energy: -23.696284 where: bonds (distance) C4'-P energy: -5.264 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.425 flat angles P-C4'-P energy: -3.779 tors. eta vs tors. theta energy: -1.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -38.229762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.229762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.229762 (E_RNA) where: Base-Base interactions energy: -12.478 where: short stacking energy: -12.478 Base-Backbone interact. energy: -0.394 local terms energy: -25.358363 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.722 flat angles P-C4'-P energy: -4.003 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: 2, replica: 1 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -41.795716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.795716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.795716 (E_RNA) where: Base-Base interactions energy: -14.543 where: short stacking energy: -14.543 Base-Backbone interact. energy: -0.057 local terms energy: -27.195808 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -4.854 flat angles C4'-P-C4' energy: -5.774 flat angles P-C4'-P energy: -4.803 tors. eta vs tors. theta energy: -5.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -40.588948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.588948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.588948 (E_RNA) where: Base-Base interactions energy: -13.034 where: short stacking energy: -10.474 Base-Backbone interact. energy: -0.095 local terms energy: -27.460403 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.698 flat angles P-C4'-P energy: -5.788 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: 4, replica: 3 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -34.276935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.276935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.276935 (E_RNA) where: Base-Base interactions energy: -7.292 where: short stacking energy: -7.292 Base-Backbone interact. energy: -0.172 local terms energy: -26.813585 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -6.545 flat angles P-C4'-P energy: -4.498 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: 5, replica: 2 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -35.888875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.888875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.888875 (E_RNA) where: Base-Base interactions energy: -11.431 where: short stacking energy: -11.431 Base-Backbone interact. energy: -0.030 local terms energy: -24.427178 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -4.537 flat angles P-C4'-P energy: -4.268 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: 6, replica: 10 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -27.961507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.961507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.961507 (E_RNA) where: Base-Base interactions energy: -6.939 where: short stacking energy: -6.939 Base-Backbone interact. energy: -0.255 local terms energy: -20.767558 where: bonds (distance) C4'-P energy: -4.854 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.483 flat angles P-C4'-P energy: -3.938 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: 7, replica: 5 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -34.170815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.170815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.170815 (E_RNA) where: Base-Base interactions energy: -7.432 where: short stacking energy: -7.696 Base-Backbone interact. energy: -0.003 local terms energy: -26.736656 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -6.866 flat angles P-C4'-P energy: -4.088 tors. eta vs tors. theta energy: -3.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -33.228897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.228897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.228897 (E_RNA) where: Base-Base interactions energy: -8.642 where: short stacking energy: -8.642 Base-Backbone interact. energy: -0.000 local terms energy: -24.586575 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -4.345 flat angles C4'-P-C4' energy: -4.753 flat angles P-C4'-P energy: -4.652 tors. eta vs tors. theta energy: -5.195 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: 7 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -30.857453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.857453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.857453 (E_RNA) where: Base-Base interactions energy: -8.870 where: short stacking energy: -8.870 Base-Backbone interact. energy: -0.099 local terms energy: -21.888235 where: bonds (distance) C4'-P energy: -5.396 bonds (distance) P-C4' energy: -5.575 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -2.857 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: 10, replica: 8 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -30.076261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.076261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.076261 (E_RNA) where: Base-Base interactions energy: -7.028 where: short stacking energy: -7.028 Base-Backbone interact. energy: -0.001 local terms energy: -23.047247 where: bonds (distance) C4'-P energy: -4.854 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -4.627 flat angles P-C4'-P energy: -6.100 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: 1, replica: 1 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -34.915489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.915489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.915489 (E_RNA) where: Base-Base interactions energy: -10.283 where: short stacking energy: -10.283 Base-Backbone interact. energy: -0.099 local terms energy: -24.533739 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.249 flat angles P-C4'-P energy: -4.049 tors. eta vs tors. theta energy: -0.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -38.966728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.966728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.966728 (E_RNA) where: Base-Base interactions energy: -13.770 where: short stacking energy: -13.770 Base-Backbone interact. energy: -0.000 local terms energy: -25.196914 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -4.203 flat angles C4'-P-C4' energy: -5.299 flat angles P-C4'-P energy: -4.446 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: 3 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -39.139907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.139907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.139907 (E_RNA) where: Base-Base interactions energy: -9.877 where: short stacking energy: -8.258 Base-Backbone interact. energy: -0.000 local terms energy: -29.262524 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -3.775 flat angles P-C4'-P energy: -6.002 tors. eta vs tors. theta energy: -4.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -34.606948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.606948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.606948 (E_RNA) where: Base-Base interactions energy: -7.147 where: short stacking energy: -7.147 Base-Backbone interact. energy: -0.257 local terms energy: -27.203116 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.341 flat angles P-C4'-P energy: -5.542 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: 10 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -38.678103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.678103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.678103 (E_RNA) where: Base-Base interactions energy: -13.411 where: short stacking energy: -13.411 Base-Backbone interact. energy: -0.000 local terms energy: -25.266350 where: bonds (distance) C4'-P energy: -2.929 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.552 flat angles P-C4'-P energy: -6.222 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: 6, replica: 2 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -33.158450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.158450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.158450 (E_RNA) where: Base-Base interactions energy: -7.676 where: short stacking energy: -7.676 Base-Backbone interact. energy: -0.090 local terms energy: -25.392495 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -6.654 flat angles C4'-P-C4' energy: -7.218 flat angles P-C4'-P energy: -5.247 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: 7, replica: 5 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -33.611010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.611010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.611010 (E_RNA) where: Base-Base interactions energy: -5.369 where: short stacking energy: -5.369 Base-Backbone interact. energy: -0.070 local terms energy: -28.172238 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.214 flat angles P-C4'-P energy: -5.640 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: 4 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -32.537288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.537288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.537288 (E_RNA) where: Base-Base interactions energy: -7.369 where: short stacking energy: -7.369 Base-Backbone interact. energy: -0.002 local terms energy: -25.166097 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.262 flat angles P-C4'-P energy: -4.426 tors. eta vs tors. theta energy: -1.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -29.524362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.524362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.524362 (E_RNA) where: Base-Base interactions energy: -7.600 where: short stacking energy: -7.600 Base-Backbone interact. energy: -0.008 local terms energy: -21.916809 where: bonds (distance) C4'-P energy: -5.558 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.873 flat angles P-C4'-P energy: -3.803 tors. eta vs tors. theta energy: 0.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -30.409985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.409985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.409985 (E_RNA) where: Base-Base interactions energy: -6.894 where: short stacking energy: -6.894 Base-Backbone interact. energy: -0.066 local terms energy: -23.449987 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.292 flat angles P-C4'-P energy: -3.667 tors. eta vs tors. theta energy: -1.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -46.213250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.213250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.213250 (E_RNA) where: Base-Base interactions energy: -14.927 where: short stacking energy: -14.927 Base-Backbone interact. energy: -0.000 local terms energy: -31.286362 where: bonds (distance) C4'-P energy: -5.578 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -6.244 flat angles P-C4'-P energy: -5.029 tors. eta vs tors. theta energy: -7.600 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: 425 Temperature: 0.950000 Total energy: -38.992698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.992698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.992698 (E_RNA) where: Base-Base interactions energy: -12.024 where: short stacking energy: -12.024 Base-Backbone interact. energy: -0.003 local terms energy: -26.965902 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -6.069 flat angles C4'-P-C4' energy: -6.832 flat angles P-C4'-P energy: -5.494 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: 3, replica: 9 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -34.908165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.908165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.908165 (E_RNA) where: Base-Base interactions energy: -9.209 where: short stacking energy: -9.209 Base-Backbone interact. energy: -0.030 local terms energy: -25.669251 where: bonds (distance) C4'-P energy: -5.094 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.179 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: -4.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -34.533132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.533132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.533132 (E_RNA) where: Base-Base interactions energy: -7.440 where: short stacking energy: -7.440 Base-Backbone interact. energy: -1.054 local terms energy: -26.039643 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -5.246 flat angles P-C4'-P energy: -5.091 tors. eta vs tors. theta energy: -3.407 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: 10 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -31.909359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.909359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.909359 (E_RNA) where: Base-Base interactions energy: -6.546 where: short stacking energy: -6.546 Base-Backbone interact. energy: -0.000 local terms energy: -25.362668 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -5.646 flat angles P-C4'-P energy: -3.275 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: 6, replica: 5 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -30.660111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.660111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.660111 (E_RNA) where: Base-Base interactions energy: -9.463 where: short stacking energy: -9.463 Base-Backbone interact. energy: -0.000 local terms energy: -21.197389 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -1.464 tors. eta vs tors. theta energy: -2.040 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: 2 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -30.816667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.816667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.816667 (E_RNA) where: Base-Base interactions energy: -9.518 where: short stacking energy: -7.934 Base-Backbone interact. energy: 0.044 local terms energy: -21.342257 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.272 flat angles P-C4'-P energy: -4.112 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: 8, replica: 8 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -30.656793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.656793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.656793 (E_RNA) where: Base-Base interactions energy: -8.234 where: short stacking energy: -4.425 Base-Backbone interact. energy: -0.083 local terms energy: -22.340318 where: bonds (distance) C4'-P energy: -2.573 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.289 flat angles P-C4'-P energy: -5.125 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: 9, replica: 4 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -29.211248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.211248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.211248 (E_RNA) where: Base-Base interactions energy: -6.617 where: short stacking energy: -6.617 Base-Backbone interact. energy: -0.003 local terms energy: -22.590303 where: bonds (distance) C4'-P energy: -5.032 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -5.883 flat angles P-C4'-P energy: -2.670 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: 10, replica: 7 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -29.681226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.681226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.681226 (E_RNA) where: Base-Base interactions energy: -8.225 where: short stacking energy: -8.225 Base-Backbone interact. energy: -0.057 local terms energy: -21.399923 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -5.477 flat angles C4'-P-C4' energy: -5.048 flat angles P-C4'-P energy: -3.392 tors. eta vs tors. theta energy: -1.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -40.598666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.598666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.598666 (E_RNA) where: Base-Base interactions energy: -14.912 where: short stacking energy: -14.912 Base-Backbone interact. energy: -0.001 local terms energy: -25.685577 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.990 flat angles P-C4'-P energy: -4.812 tors. eta vs tors. theta energy: -2.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -36.460354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.460354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.460354 (E_RNA) where: Base-Base interactions energy: -10.568 where: short stacking energy: -10.568 Base-Backbone interact. energy: -0.000 local terms energy: -25.891897 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.873 flat angles P-C4'-P energy: -2.123 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: 3, replica: 6 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -35.678719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.678719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.678719 (E_RNA) where: Base-Base interactions energy: -6.579 where: short stacking energy: -6.579 Base-Backbone interact. energy: -0.165 local terms energy: -28.934599 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.607 flat angles P-C4'-P energy: -5.854 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: 4, replica: 9 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -33.821881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.821881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.821881 (E_RNA) where: Base-Base interactions energy: -6.838 where: short stacking energy: -6.838 Base-Backbone interact. energy: -0.983 local terms energy: -26.000594 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.676 flat angles P-C4'-P energy: -4.138 tors. eta vs tors. theta energy: -0.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -37.001995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.001995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.001995 (E_RNA) where: Base-Base interactions energy: -11.461 where: short stacking energy: -11.461 Base-Backbone interact. energy: 0.313 local terms energy: -25.853927 where: bonds (distance) C4'-P energy: -5.595 bonds (distance) P-C4' energy: -5.913 flat angles C4'-P-C4' energy: -6.435 flat angles P-C4'-P energy: -5.497 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: 6, replica: 5 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -31.965548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.965548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.965548 (E_RNA) where: Base-Base interactions energy: -10.258 where: short stacking energy: -10.258 Base-Backbone interact. energy: -0.162 local terms energy: -21.546129 where: bonds (distance) C4'-P energy: -4.650 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.043 flat angles P-C4'-P energy: -2.088 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: 7, replica: 8 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -36.175169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.175169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.175169 (E_RNA) where: Base-Base interactions energy: -10.117 where: short stacking energy: -10.117 Base-Backbone interact. energy: -0.004 local terms energy: -26.053773 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -4.691 flat angles P-C4'-P energy: -4.429 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: 2 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -28.950811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.950811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.950811 (E_RNA) where: Base-Base interactions energy: -6.821 where: short stacking energy: -6.821 Base-Backbone interact. energy: -0.088 local terms energy: -22.041333 where: bonds (distance) C4'-P energy: -4.705 bonds (distance) P-C4' energy: -3.480 flat angles C4'-P-C4' energy: -6.507 flat angles P-C4'-P energy: -2.551 tors. eta vs tors. theta energy: -4.798 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: 7 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -30.611679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.611679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.611679 (E_RNA) where: Base-Base interactions energy: -6.772 where: short stacking energy: -6.772 Base-Backbone interact. energy: -0.006 local terms energy: -23.834415 where: bonds (distance) C4'-P energy: -5.959 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -2.045 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: 10, replica: 4 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -26.129771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.129771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.129771 (E_RNA) where: Base-Base interactions energy: -4.264 where: short stacking energy: -4.264 Base-Backbone interact. energy: -0.005 local terms energy: -21.861034 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -5.077 flat angles P-C4'-P energy: -4.312 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: 3 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -41.642967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.642967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.642967 (E_RNA) where: Base-Base interactions energy: -14.950 where: short stacking energy: -14.950 Base-Backbone interact. energy: -0.000 local terms energy: -26.692865 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -3.872 flat angles P-C4'-P energy: -4.551 tors. eta vs tors. theta energy: -5.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -38.874005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.874005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.874005 (E_RNA) where: Base-Base interactions energy: -10.001 where: short stacking energy: -10.201 Base-Backbone interact. energy: -0.001 local terms energy: -28.872598 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -7.117 flat angles P-C4'-P energy: -3.990 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: 3, replica: 1 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -31.021537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.021537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.021537 (E_RNA) where: Base-Base interactions energy: -11.310 where: short stacking energy: -6.376 Base-Backbone interact. energy: -0.097 local terms energy: -19.614345 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -5.292 flat angles P-C4'-P energy: -1.730 tors. eta vs tors. theta energy: 1.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -32.572330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.572330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.572330 (E_RNA) where: Base-Base interactions energy: -14.978 where: short stacking energy: -14.978 Base-Backbone interact. energy: -0.055 local terms energy: -17.539356 where: bonds (distance) C4'-P energy: -1.605 bonds (distance) P-C4' energy: -5.784 flat angles C4'-P-C4' energy: -5.788 flat angles P-C4'-P energy: -2.586 tors. eta vs tors. theta energy: -1.778 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: 9 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -34.226006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.226006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.226006 (E_RNA) where: Base-Base interactions energy: -11.045 where: short stacking energy: -5.831 Base-Backbone interact. energy: -0.031 local terms energy: -23.149619 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.505 flat angles P-C4'-P energy: -2.807 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: 6, replica: 8 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -28.811486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.811486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.811486 (E_RNA) where: Base-Base interactions energy: -5.977 where: short stacking energy: -5.977 Base-Backbone interact. energy: -0.018 local terms energy: -22.816690 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -3.938 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: 7, replica: 5 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -31.220570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.220570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.220570 (E_RNA) where: Base-Base interactions energy: -7.818 where: short stacking energy: -7.818 Base-Backbone interact. energy: -0.083 local terms energy: -23.319576 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.944 flat angles P-C4'-P energy: -4.841 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: 8, replica: 7 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -30.916680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.916680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.916680 (E_RNA) where: Base-Base interactions energy: -5.122 where: short stacking energy: -5.122 Base-Backbone interact. energy: -0.029 local terms energy: -25.765755 where: bonds (distance) C4'-P energy: -5.318 bonds (distance) P-C4' energy: -4.854 flat angles C4'-P-C4' energy: -6.993 flat angles P-C4'-P energy: -3.959 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: 9, replica: 2 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -31.695808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.695808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.695808 (E_RNA) where: Base-Base interactions energy: -7.177 where: short stacking energy: -7.177 Base-Backbone interact. energy: -0.000 local terms energy: -24.518873 where: bonds (distance) C4'-P energy: -3.165 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -6.230 flat angles P-C4'-P energy: -4.910 tors. eta vs tors. theta energy: -4.667 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: 4 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -30.063143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.063143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.063143 (E_RNA) where: Base-Base interactions energy: -7.592 where: short stacking energy: -7.592 Base-Backbone interact. energy: -0.007 local terms energy: -22.464076 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -3.669 flat angles P-C4'-P energy: -2.943 tors. eta vs tors. theta energy: -1.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -41.541937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.541937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.541937 (E_RNA) where: Base-Base interactions energy: -14.834 where: short stacking energy: -14.834 Base-Backbone interact. energy: -0.127 local terms energy: -26.581437 where: bonds (distance) C4'-P energy: -5.061 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.451 flat angles P-C4'-P energy: -4.121 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: 2, replica: 3 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -38.279286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.279286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.279286 (E_RNA) where: Base-Base interactions energy: -15.714 where: short stacking energy: -15.714 Base-Backbone interact. energy: -0.000 local terms energy: -22.565147 where: bonds (distance) C4'-P energy: -4.792 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.315 flat angles P-C4'-P energy: -1.053 tors. eta vs tors. theta energy: -2.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -37.043538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.043538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.043538 (E_RNA) where: Base-Base interactions energy: -13.003 where: short stacking energy: -13.003 Base-Backbone interact. energy: -0.049 local terms energy: -23.991959 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.971 flat angles P-C4'-P energy: -4.481 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: 4, replica: 10 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -33.892414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.892414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.892414 (E_RNA) where: Base-Base interactions energy: -9.445 where: short stacking energy: -7.408 Base-Backbone interact. energy: -0.470 local terms energy: -23.977100 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.953 flat angles P-C4'-P energy: -4.523 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: 9 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -33.313360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.313360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.313360 (E_RNA) where: Base-Base interactions energy: -6.545 where: short stacking energy: -6.545 Base-Backbone interact. energy: -0.000 local terms energy: -26.768538 where: bonds (distance) C4'-P energy: -4.908 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -7.562 flat angles P-C4'-P energy: -5.433 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: 6, replica: 8 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -32.051368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.051368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.051368 (E_RNA) where: Base-Base interactions energy: -8.038 where: short stacking energy: -8.038 Base-Backbone interact. energy: -0.064 local terms energy: -23.948630 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -6.392 flat angles P-C4'-P energy: -4.294 tors. eta vs tors. theta energy: -0.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -31.601467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.601467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.601467 (E_RNA) where: Base-Base interactions energy: -8.692 where: short stacking energy: -8.692 Base-Backbone interact. energy: -0.000 local terms energy: -22.908987 where: bonds (distance) C4'-P energy: -4.961 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -3.252 flat angles P-C4'-P energy: -4.425 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: 5 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -29.912667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.912667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.912667 (E_RNA) where: Base-Base interactions energy: -10.433 where: short stacking energy: -10.433 Base-Backbone interact. energy: -0.023 local terms energy: -19.456705 where: bonds (distance) C4'-P energy: -3.819 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -4.800 flat angles P-C4'-P energy: -2.735 tors. eta vs tors. theta energy: -1.611 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: 4 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -28.825913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.825913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.825913 (E_RNA) where: Base-Base interactions energy: -8.121 where: short stacking energy: -8.121 Base-Backbone interact. energy: -0.026 local terms energy: -20.679203 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.106 flat angles P-C4'-P energy: -2.680 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: 10, replica: 2 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -28.030232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.030232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.030232 (E_RNA) where: Base-Base interactions energy: -4.846 where: short stacking energy: -4.846 Base-Backbone interact. energy: -0.029 local terms energy: -23.155949 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.537 flat angles P-C4'-P energy: -3.916 tors. eta vs tors. theta energy: -0.518 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: 6 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -43.272993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.272993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.272993 (E_RNA) where: Base-Base interactions energy: -12.291 where: short stacking energy: -12.291 Base-Backbone interact. energy: -0.041 local terms energy: -30.940335 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.859 flat angles P-C4'-P energy: -4.496 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: 2, replica: 1 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -35.345877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.345877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.345877 (E_RNA) where: Base-Base interactions energy: -8.096 where: short stacking energy: -8.096 Base-Backbone interact. energy: -0.093 local terms energy: -27.156278 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.679 flat angles P-C4'-P energy: -4.502 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: 3, replica: 3 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -35.740680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.740680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.740680 (E_RNA) where: Base-Base interactions energy: -11.537 where: short stacking energy: -11.537 Base-Backbone interact. energy: -0.167 local terms energy: -24.036429 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.714 flat angles P-C4'-P energy: -4.396 tors. eta vs tors. theta energy: -0.549 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: 9 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -39.089067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.089067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.089067 (E_RNA) where: Base-Base interactions energy: -13.855 where: short stacking energy: -13.855 Base-Backbone interact. energy: -0.003 local terms energy: -25.231285 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.395 flat angles P-C4'-P energy: -5.626 tors. eta vs tors. theta energy: -0.450 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: 429 Temperature: 1.100000 Total energy: -36.878915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.878915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.878915 (E_RNA) where: Base-Base interactions energy: -10.899 where: short stacking energy: -10.899 Base-Backbone interact. energy: -0.097 local terms energy: -25.883582 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -6.019 flat angles C4'-P-C4' energy: -6.025 flat angles P-C4'-P energy: -5.411 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: 7 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -34.654692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.654692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.654692 (E_RNA) where: Base-Base interactions energy: -11.916 where: short stacking energy: -11.916 Base-Backbone interact. energy: -0.001 local terms energy: -22.738580 where: bonds (distance) C4'-P energy: -5.359 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -4.718 flat angles P-C4'-P energy: -3.771 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: 7, replica: 8 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -32.577251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.577251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.577251 (E_RNA) where: Base-Base interactions energy: -6.629 where: short stacking energy: -6.629 Base-Backbone interact. energy: -0.103 local terms energy: -25.845563 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.566 flat angles P-C4'-P energy: -4.841 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: 4 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -31.017963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.017963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.017963 (E_RNA) where: Base-Base interactions energy: -7.256 where: short stacking energy: -7.256 Base-Backbone interact. energy: -0.000 local terms energy: -23.762219 where: bonds (distance) C4'-P energy: -5.884 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -6.799 flat angles P-C4'-P energy: -2.830 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: 5 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -30.686977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.686977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.686977 (E_RNA) where: Base-Base interactions energy: -12.168 where: short stacking energy: -11.235 Base-Backbone interact. energy: -1.061 local terms energy: -17.457376 where: bonds (distance) C4'-P energy: -3.887 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -2.543 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: 10, replica: 2 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -28.685125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.685125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.685125 (E_RNA) where: Base-Base interactions energy: -7.356 where: short stacking energy: -7.356 Base-Backbone interact. energy: -0.003 local terms energy: -21.325660 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.809 flat angles P-C4'-P energy: -4.279 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: 1, replica: 6 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -42.439014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.439014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.439014 (E_RNA) where: Base-Base interactions energy: -15.816 where: short stacking energy: -15.077 Base-Backbone interact. energy: -0.034 local terms energy: -26.589133 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.653 flat angles P-C4'-P energy: -4.141 tors. eta vs tors. theta energy: -3.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -34.031803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.031803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.031803 (E_RNA) where: Base-Base interactions energy: -11.345 where: short stacking energy: -8.330 Base-Backbone interact. energy: -0.102 local terms energy: -22.584451 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.796 flat angles C4'-P-C4' energy: -5.737 flat angles P-C4'-P energy: -5.286 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: 3, replica: 9 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -36.564803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.564803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.564803 (E_RNA) where: Base-Base interactions energy: -10.577 where: short stacking energy: -10.577 Base-Backbone interact. energy: -0.016 local terms energy: -25.972487 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -4.351 flat angles P-C4'-P energy: -4.126 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: 4, replica: 3 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -32.444213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.444213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.444213 (E_RNA) where: Base-Base interactions energy: -4.950 where: short stacking energy: -3.541 Base-Backbone interact. energy: -0.005 local terms energy: -27.489428 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.271 flat angles P-C4'-P energy: -5.868 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: 5, replica: 7 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -31.435450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.435450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.435450 (E_RNA) where: Base-Base interactions energy: -5.801 where: short stacking energy: -5.801 Base-Backbone interact. energy: -0.010 local terms energy: -25.624528 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -5.061 flat angles P-C4'-P energy: -4.543 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: 6, replica: 10 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -36.724353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.724353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.724353 (E_RNA) where: Base-Base interactions energy: -11.913 where: short stacking energy: -11.913 Base-Backbone interact. energy: -0.020 local terms energy: -24.791675 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.635 flat angles P-C4'-P energy: -4.511 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: 7, replica: 4 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -29.658376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.658376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.658376 (E_RNA) where: Base-Base interactions energy: -7.281 where: short stacking energy: -6.528 Base-Backbone interact. energy: -0.730 local terms energy: -21.647277 where: bonds (distance) C4'-P energy: -4.250 bonds (distance) P-C4' energy: -5.713 flat angles C4'-P-C4' energy: -5.789 flat angles P-C4'-P energy: -4.542 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: 8, replica: 8 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -31.829919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.829919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.829919 (E_RNA) where: Base-Base interactions energy: -8.485 where: short stacking energy: -8.485 Base-Backbone interact. energy: -0.002 local terms energy: -23.343597 where: bonds (distance) C4'-P energy: -5.272 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -5.680 flat angles P-C4'-P energy: -2.810 tors. eta vs tors. theta energy: -2.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -29.477903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.477903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.477903 (E_RNA) where: Base-Base interactions energy: -7.081 where: short stacking energy: -7.081 Base-Backbone interact. energy: -0.059 local terms energy: -22.337514 where: bonds (distance) C4'-P energy: -5.795 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -3.164 flat angles P-C4'-P energy: -2.054 tors. eta vs tors. theta energy: -3.529 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: 5 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -30.252223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.252223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.252223 (E_RNA) where: Base-Base interactions energy: -10.062 where: short stacking energy: -10.062 Base-Backbone interact. energy: -0.013 local terms energy: -20.177753 where: bonds (distance) C4'-P energy: -5.860 bonds (distance) P-C4' energy: -4.643 flat angles C4'-P-C4' energy: -6.144 flat angles P-C4'-P energy: -3.847 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: 1, replica: 6 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -39.987619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.987619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.987619 (E_RNA) where: Base-Base interactions energy: -11.380 where: short stacking energy: -11.380 Base-Backbone interact. energy: -0.038 local terms energy: -28.569837 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.627 flat angles P-C4'-P energy: -3.413 tors. eta vs tors. theta energy: -3.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -34.778508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.778508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.778508 (E_RNA) where: Base-Base interactions energy: -9.970 where: short stacking energy: -9.970 Base-Backbone interact. energy: -0.059 local terms energy: -24.749464 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -6.352 flat angles P-C4'-P energy: -4.418 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: 3, replica: 1 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -32.011023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.011023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.011023 (E_RNA) where: Base-Base interactions energy: -7.638 where: short stacking energy: -7.638 Base-Backbone interact. energy: -0.051 local terms energy: -24.322408 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -7.014 flat angles P-C4'-P energy: -5.015 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: 4, replica: 7 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -32.557929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.557929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.557929 (E_RNA) where: Base-Base interactions energy: -11.427 where: short stacking energy: -11.427 Base-Backbone interact. energy: -0.053 local terms energy: -21.077521 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -4.918 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -2.507 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: 5, replica: 3 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -37.585534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.585534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.585534 (E_RNA) where: Base-Base interactions energy: -14.099 where: short stacking energy: -14.099 Base-Backbone interact. energy: -0.025 local terms energy: -23.460931 where: bonds (distance) C4'-P energy: -4.271 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -3.198 flat angles P-C4'-P energy: -4.428 tors. eta vs tors. theta energy: -5.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -35.874127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.874127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.874127 (E_RNA) where: Base-Base interactions energy: -11.216 where: short stacking energy: -11.216 Base-Backbone interact. energy: -0.001 local terms energy: -24.656986 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.745 flat angles P-C4'-P energy: -3.634 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: 7, replica: 10 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -30.493065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.493065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.493065 (E_RNA) where: Base-Base interactions energy: -8.236 where: short stacking energy: -8.236 Base-Backbone interact. energy: -0.088 local terms energy: -22.168854 where: bonds (distance) C4'-P energy: -4.403 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -7.731 flat angles P-C4'-P energy: -4.027 tors. eta vs tors. theta energy: 0.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -29.068403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.068403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.068403 (E_RNA) where: Base-Base interactions energy: -6.167 where: short stacking energy: -6.167 Base-Backbone interact. energy: -0.041 local terms energy: -22.860185 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.349 flat angles P-C4'-P energy: -4.440 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: 9, replica: 8 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -31.496717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.496717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.496717 (E_RNA) where: Base-Base interactions energy: -10.456 where: short stacking energy: -10.456 Base-Backbone interact. energy: -0.000 local terms energy: -21.040349 where: bonds (distance) C4'-P energy: -4.660 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -2.355 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: 10, replica: 5 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -31.473776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.473776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.473776 (E_RNA) where: Base-Base interactions energy: -7.685 where: short stacking energy: -7.685 Base-Backbone interact. energy: -0.000 local terms energy: -23.788690 where: bonds (distance) C4'-P energy: -5.119 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -4.935 flat angles P-C4'-P energy: -5.612 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: 432 Temperature: 0.900000 Total energy: -36.348551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.348551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.348551 (E_RNA) where: Base-Base interactions energy: -11.798 where: short stacking energy: -11.798 Base-Backbone interact. energy: -0.000 local terms energy: -24.550385 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -3.566 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: 2, replica: 6 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -42.473571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.473571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.473571 (E_RNA) where: Base-Base interactions energy: -10.935 where: short stacking energy: -10.935 Base-Backbone interact. energy: -0.000 local terms energy: -31.538649 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.513 flat angles P-C4'-P energy: -3.942 tors. eta vs tors. theta energy: -6.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -38.279319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.279319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.279319 (E_RNA) where: Base-Base interactions energy: -12.151 where: short stacking energy: -12.151 Base-Backbone interact. energy: -0.028 local terms energy: -26.100142 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -5.193 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: 4, replica: 1 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -35.995792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.995792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.995792 (E_RNA) where: Base-Base interactions energy: -6.700 where: short stacking energy: -6.700 Base-Backbone interact. energy: -0.000 local terms energy: -29.295927 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -7.237 flat angles P-C4'-P energy: -3.996 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: 5, replica: 4 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -32.192163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.192163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.192163 (E_RNA) where: Base-Base interactions energy: -6.255 where: short stacking energy: -6.255 Base-Backbone interact. energy: -0.023 local terms energy: -25.914153 where: bonds (distance) C4'-P energy: -6.878 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -4.947 flat angles P-C4'-P energy: -5.222 tors. eta vs tors. theta energy: -1.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -33.453825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.453825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.453825 (E_RNA) where: Base-Base interactions energy: -6.078 where: short stacking energy: -6.078 Base-Backbone interact. energy: -0.013 local terms energy: -27.363490 where: bonds (distance) C4'-P energy: -5.715 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.242 flat angles P-C4'-P energy: -6.090 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: 7, replica: 2 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -33.154621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.154621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.154621 (E_RNA) where: Base-Base interactions energy: -12.241 where: short stacking energy: -12.241 Base-Backbone interact. energy: -0.037 local terms energy: -20.876104 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -3.356 flat angles P-C4'-P energy: -5.146 tors. eta vs tors. theta energy: 0.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -30.980797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.980797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.980797 (E_RNA) where: Base-Base interactions energy: -6.662 where: short stacking energy: -6.662 Base-Backbone interact. energy: -0.063 local terms energy: -24.256507 where: bonds (distance) C4'-P energy: -4.155 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.170 flat angles P-C4'-P energy: -4.637 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: 9, replica: 5 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -29.737772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.737772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.737772 (E_RNA) where: Base-Base interactions energy: -8.195 where: short stacking energy: -8.195 Base-Backbone interact. energy: -0.033 local terms energy: -21.509731 where: bonds (distance) C4'-P energy: -4.559 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -3.959 flat angles P-C4'-P energy: -4.294 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: 10, replica: 8 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -27.224159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.224159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.224159 (E_RNA) where: Base-Base interactions energy: -6.236 where: short stacking energy: -6.236 Base-Backbone interact. energy: -0.048 local terms energy: -20.940220 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -6.526 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -2.487 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: 1, replica: 9 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -38.285396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.285396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.285396 (E_RNA) where: Base-Base interactions energy: -10.390 where: short stacking energy: -7.855 Base-Backbone interact. energy: -0.009 local terms energy: -27.886363 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.747 flat angles P-C4'-P energy: -5.725 tors. eta vs tors. theta energy: -1.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -38.679744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.679744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.679744 (E_RNA) where: Base-Base interactions energy: -12.702 where: short stacking energy: -12.702 Base-Backbone interact. energy: -0.000 local terms energy: -25.977821 where: bonds (distance) C4'-P energy: -1.791 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.651 flat angles P-C4'-P energy: -4.016 tors. eta vs tors. theta energy: -6.746 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: 3, replica: 7 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -33.152079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.152079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.152079 (E_RNA) where: Base-Base interactions energy: -7.888 where: short stacking energy: -7.888 Base-Backbone interact. energy: -0.009 local terms energy: -25.255775 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.987 flat angles P-C4'-P energy: -4.820 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: 4, replica: 4 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -31.775188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.775188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.775188 (E_RNA) where: Base-Base interactions energy: -6.723 where: short stacking energy: -6.723 Base-Backbone interact. energy: -0.085 local terms energy: -24.967542 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.441 flat angles P-C4'-P energy: -3.512 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: 5, replica: 1 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -33.677938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.677938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.677938 (E_RNA) where: Base-Base interactions energy: -10.838 where: short stacking energy: -8.627 Base-Backbone interact. energy: -0.017 local terms energy: -22.823379 where: bonds (distance) C4'-P energy: -4.668 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -5.301 flat angles P-C4'-P energy: -3.551 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: 2 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -34.717339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.717339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.717339 (E_RNA) where: Base-Base interactions energy: -8.337 where: short stacking energy: -8.337 Base-Backbone interact. energy: -0.000 local terms energy: -26.380779 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.959 flat angles P-C4'-P energy: -4.272 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: 7, replica: 3 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -29.265917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.265917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.265917 (E_RNA) where: Base-Base interactions energy: -7.389 where: short stacking energy: -7.389 Base-Backbone interact. energy: -0.003 local terms energy: -21.874131 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -5.365 flat angles P-C4'-P energy: -1.955 tors. eta vs tors. theta energy: -1.342 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: 5 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -34.148183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.148183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.148183 (E_RNA) where: Base-Base interactions energy: -7.135 where: short stacking energy: -7.135 Base-Backbone interact. energy: -0.000 local terms energy: -27.013300 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -6.198 flat angles P-C4'-P energy: -2.995 tors. eta vs tors. theta energy: -4.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -27.555680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.555680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.555680 (E_RNA) where: Base-Base interactions energy: -8.727 where: short stacking energy: -8.727 Base-Backbone interact. energy: -0.153 local terms energy: -18.675956 where: bonds (distance) C4'-P energy: -4.002 bonds (distance) P-C4' energy: -5.053 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: -0.942 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: 10, replica: 8 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -27.874804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.874804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.874804 (E_RNA) where: Base-Base interactions energy: -4.627 where: short stacking energy: -4.627 Base-Backbone interact. energy: -0.013 local terms energy: -23.234420 where: bonds (distance) C4'-P energy: -6.366 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -7.274 flat angles P-C4'-P energy: -3.565 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: 1, replica: 9 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -40.228046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.228046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.228046 (E_RNA) where: Base-Base interactions energy: -11.496 where: short stacking energy: -11.496 Base-Backbone interact. energy: -0.000 local terms energy: -28.731836 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.039 flat angles P-C4'-P energy: -4.895 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: 2, replica: 6 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -36.958110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.958110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.958110 (E_RNA) where: Base-Base interactions energy: -11.430 where: short stacking energy: -6.406 Base-Backbone interact. energy: -0.009 local terms energy: -25.519413 where: bonds (distance) C4'-P energy: -5.355 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.336 flat angles P-C4'-P energy: -3.182 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: 3, replica: 4 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -33.217946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.217946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.217946 (E_RNA) where: Base-Base interactions energy: -8.282 where: short stacking energy: -8.282 Base-Backbone interact. energy: -0.052 local terms energy: -24.883914 where: bonds (distance) C4'-P energy: -5.718 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.932 flat angles P-C4'-P energy: -3.950 tors. eta vs tors. theta energy: -0.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -35.910854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.910854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.910854 (E_RNA) where: Base-Base interactions energy: -11.612 where: short stacking energy: -11.612 Base-Backbone interact. energy: -0.016 local terms energy: -24.282884 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -3.945 flat angles P-C4'-P energy: -4.859 tors. eta vs tors. theta energy: -1.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -37.213565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.213565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.213565 (E_RNA) where: Base-Base interactions energy: -10.125 where: short stacking energy: -10.125 Base-Backbone interact. energy: -0.000 local terms energy: -27.088612 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -3.472 tors. eta vs tors. theta energy: -4.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -31.720264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.720264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.720264 (E_RNA) where: Base-Base interactions energy: -7.452 where: short stacking energy: -7.452 Base-Backbone interact. energy: -0.178 local terms energy: -24.090517 where: bonds (distance) C4'-P energy: -7.118 bonds (distance) P-C4' energy: -5.994 flat angles C4'-P-C4' energy: -7.180 flat angles P-C4'-P energy: -3.970 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: 7, replica: 5 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -28.184957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.184957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.184957 (E_RNA) where: Base-Base interactions energy: -5.490 where: short stacking energy: -5.490 Base-Backbone interact. energy: -0.419 local terms energy: -22.275859 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -5.042 flat angles P-C4'-P energy: -4.212 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: 8, replica: 3 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -29.946012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.946012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.946012 (E_RNA) where: Base-Base interactions energy: -4.015 where: short stacking energy: -4.015 Base-Backbone interact. energy: -0.001 local terms energy: -25.929908 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.004 flat angles P-C4'-P energy: -4.818 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: 9, replica: 8 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -30.014783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.014783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.014783 (E_RNA) where: Base-Base interactions energy: -3.767 where: short stacking energy: -3.767 Base-Backbone interact. energy: -0.049 local terms energy: -26.198127 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -5.250 flat angles P-C4'-P energy: -4.863 tors. eta vs tors. theta energy: -3.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -26.572791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.572791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.572791 (E_RNA) where: Base-Base interactions energy: -5.303 where: short stacking energy: -5.303 Base-Backbone interact. energy: 0.436 local terms energy: -21.705871 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.709 flat angles C4'-P-C4' energy: -3.705 flat angles P-C4'-P energy: -4.086 tors. eta vs tors. theta energy: -1.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -39.054325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.054325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.054325 (E_RNA) where: Base-Base interactions energy: -10.623 where: short stacking energy: -9.904 Base-Backbone interact. energy: -0.119 local terms energy: -28.312274 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.547 flat angles P-C4'-P energy: -5.472 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: 435 Temperature: 0.950000 Total energy: -40.655696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.655696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.655696 (E_RNA) where: Base-Base interactions energy: -13.526 where: short stacking energy: -13.526 Base-Backbone interact. energy: -1.017 local terms energy: -26.112600 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -3.649 flat angles P-C4'-P energy: -2.994 tors. eta vs tors. theta energy: -4.375 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: 6 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -35.145853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.145853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.145853 (E_RNA) where: Base-Base interactions energy: -8.108 where: short stacking energy: -6.048 Base-Backbone interact. energy: -0.084 local terms energy: -26.954279 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -6.562 flat angles P-C4'-P energy: -5.084 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: 4, replica: 2 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -33.633768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.633768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.633768 (E_RNA) where: Base-Base interactions energy: -7.402 where: short stacking energy: -7.402 Base-Backbone interact. energy: -0.026 local terms energy: -26.205696 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.125 flat angles P-C4'-P energy: -4.902 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: 5, replica: 7 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -36.813003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.813003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.813003 (E_RNA) where: Base-Base interactions energy: -9.856 where: short stacking energy: -8.383 Base-Backbone interact. energy: -0.026 local terms energy: -26.931710 where: bonds (distance) C4'-P energy: -5.405 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.140 flat angles P-C4'-P energy: -5.185 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: 5 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -38.888219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.888219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.888219 (E_RNA) where: Base-Base interactions energy: -14.880 where: short stacking energy: -14.880 Base-Backbone interact. energy: -0.000 local terms energy: -24.008060 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -5.357 flat angles P-C4'-P energy: -2.779 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: 7, replica: 1 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -31.717527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.717527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.717527 (E_RNA) where: Base-Base interactions energy: -8.881 where: short stacking energy: -8.881 Base-Backbone interact. energy: -0.043 local terms energy: -22.793018 where: bonds (distance) C4'-P energy: -5.603 bonds (distance) P-C4' energy: -4.354 flat angles C4'-P-C4' energy: -5.756 flat angles P-C4'-P energy: -3.992 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: 8, replica: 8 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -29.603641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.603641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.603641 (E_RNA) where: Base-Base interactions energy: -5.385 where: short stacking energy: -5.385 Base-Backbone interact. energy: -0.031 local terms energy: -24.187770 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -3.598 flat angles P-C4'-P energy: -3.332 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: 9, replica: 3 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -26.054915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.054915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.054915 (E_RNA) where: Base-Base interactions energy: -2.891 where: short stacking energy: -2.977 Base-Backbone interact. energy: -0.005 local terms energy: -23.158540 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.201 flat angles P-C4'-P energy: -3.237 tors. eta vs tors. theta energy: -1.403 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: 435 Temperature: 1.350000 Total energy: -29.078029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.078029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.078029 (E_RNA) where: Base-Base interactions energy: -7.379 where: short stacking energy: -6.051 Base-Backbone interact. energy: -0.032 local terms energy: -21.666691 where: bonds (distance) C4'-P energy: -4.688 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.782 flat angles P-C4'-P energy: -3.297 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: 1, replica: 4 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -38.272471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.272471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.272471 (E_RNA) where: Base-Base interactions energy: -10.988 where: short stacking energy: -10.543 Base-Backbone interact. energy: -0.038 local terms energy: -27.246591 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.985 flat angles P-C4'-P energy: -5.824 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: 2, replica: 9 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -37.655010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.655010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.655010 (E_RNA) where: Base-Base interactions energy: -11.358 where: short stacking energy: -11.358 Base-Backbone interact. energy: -0.003 local terms energy: -26.294274 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -7.050 flat angles P-C4'-P energy: -4.229 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: 3, replica: 2 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -40.936027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.936027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.936027 (E_RNA) where: Base-Base interactions energy: -10.824 where: short stacking energy: -10.684 Base-Backbone interact. energy: -0.074 local terms energy: -30.038217 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.448 flat angles P-C4'-P energy: -4.735 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: 4, replica: 6 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -33.137778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.137778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.137778 (E_RNA) where: Base-Base interactions energy: -7.894 where: short stacking energy: -7.894 Base-Backbone interact. energy: -0.001 local terms energy: -25.242287 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.565 flat angles P-C4'-P energy: -4.197 tors. eta vs tors. theta energy: -1.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -33.286232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.286232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.286232 (E_RNA) where: Base-Base interactions energy: -11.164 where: short stacking energy: -11.164 Base-Backbone interact. energy: -0.019 local terms energy: -22.103380 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.405 flat angles P-C4'-P energy: -3.904 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: 7 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -28.635172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.635172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.635172 (E_RNA) where: Base-Base interactions energy: -6.750 where: short stacking energy: -6.750 Base-Backbone interact. energy: 0.265 local terms energy: -22.150643 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -3.739 flat angles P-C4'-P energy: -4.206 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: 7, replica: 1 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -32.723808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.723808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.723808 (E_RNA) where: Base-Base interactions energy: -6.426 where: short stacking energy: -6.426 Base-Backbone interact. energy: -0.001 local terms energy: -26.296926 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -4.419 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: 8, replica: 8 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -29.005277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.005277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.005277 (E_RNA) where: Base-Base interactions energy: -6.337 where: short stacking energy: -6.337 Base-Backbone interact. energy: -0.002 local terms energy: -22.666610 where: bonds (distance) C4'-P energy: -3.641 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -4.836 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: 9, replica: 10 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -32.759300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.759300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.759300 (E_RNA) where: Base-Base interactions energy: -11.097 where: short stacking energy: -11.097 Base-Backbone interact. energy: -0.002 local terms energy: -21.659780 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -7.284 flat angles P-C4'-P energy: -2.478 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: 10, replica: 3 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -30.189295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.189295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.189295 (E_RNA) where: Base-Base interactions energy: -6.757 where: short stacking energy: -6.757 Base-Backbone interact. energy: -0.065 local terms energy: -23.367642 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -6.399 flat angles P-C4'-P energy: -4.321 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: 4 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -45.172616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.172616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.172616 (E_RNA) where: Base-Base interactions energy: -16.041 where: short stacking energy: -16.041 Base-Backbone interact. energy: -0.000 local terms energy: -29.131289 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -5.107 flat angles P-C4'-P energy: -4.722 tors. eta vs tors. theta energy: -6.311 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: 2, replica: 2 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -37.065535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.065535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.065535 (E_RNA) where: Base-Base interactions energy: -11.445 where: short stacking energy: -11.445 Base-Backbone interact. energy: -0.001 local terms energy: -25.619578 where: bonds (distance) C4'-P energy: -4.916 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -7.026 flat angles P-C4'-P energy: -2.711 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: 3, replica: 9 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -33.270284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.270284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.270284 (E_RNA) where: Base-Base interactions energy: -7.460 where: short stacking energy: -7.858 Base-Backbone interact. energy: -0.001 local terms energy: -25.809970 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.313 flat angles P-C4'-P energy: -5.080 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: 4, replica: 5 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -36.707439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.707439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.707439 (E_RNA) where: Base-Base interactions energy: -9.942 where: short stacking energy: -9.942 Base-Backbone interact. energy: -0.000 local terms energy: -26.765083 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -5.665 flat angles P-C4'-P energy: -3.063 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: 5, replica: 6 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -31.695821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.695821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.695821 (E_RNA) where: Base-Base interactions energy: -7.134 where: short stacking energy: -7.134 Base-Backbone interact. energy: -0.182 local terms energy: -24.379836 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -5.589 tors. eta vs tors. theta energy: -1.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -29.190485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.190485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.190485 (E_RNA) where: Base-Base interactions energy: -7.638 where: short stacking energy: -7.638 Base-Backbone interact. energy: -0.104 local terms energy: -21.448394 where: bonds (distance) C4'-P energy: -5.968 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.190 flat angles P-C4'-P energy: -3.996 tors. eta vs tors. theta energy: 1.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -29.919479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.919479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.919479 (E_RNA) where: Base-Base interactions energy: -7.108 where: short stacking energy: -7.108 Base-Backbone interact. energy: -0.059 local terms energy: -22.752240 where: bonds (distance) C4'-P energy: -3.799 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.642 flat angles P-C4'-P energy: -4.631 tors. eta vs tors. theta energy: 1.088 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: 10 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -33.475464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.475464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.475464 (E_RNA) where: Base-Base interactions energy: -12.466 where: short stacking energy: -10.483 Base-Backbone interact. energy: -0.001 local terms energy: -21.008509 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.560 flat angles P-C4'-P energy: -5.406 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: 8 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -28.304009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.304009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.304009 (E_RNA) where: Base-Base interactions energy: -3.514 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.108 local terms energy: -24.682303 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -7.153 flat angles P-C4'-P energy: -5.216 tors. eta vs tors. theta energy: 1.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -29.823329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.823329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.823329 (E_RNA) where: Base-Base interactions energy: -2.671 where: short stacking energy: -2.671 Base-Backbone interact. energy: 0.203 local terms energy: -27.355704 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -7.032 flat angles P-C4'-P energy: -5.583 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: 1, replica: 2 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -40.894755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.894755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.894755 (E_RNA) where: Base-Base interactions energy: -11.539 where: short stacking energy: -11.539 Base-Backbone interact. energy: -0.006 local terms energy: -29.349903 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.829 flat angles P-C4'-P energy: -5.227 tors. eta vs tors. theta energy: -4.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -39.255353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.255353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.255353 (E_RNA) where: Base-Base interactions energy: -15.795 where: short stacking energy: -15.795 Base-Backbone interact. energy: -0.043 local terms energy: -23.417127 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -7.483 flat angles P-C4'-P energy: -0.512 tors. eta vs tors. theta energy: -2.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -33.951698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.951698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.951698 (E_RNA) where: Base-Base interactions energy: -10.389 where: short stacking energy: -10.389 Base-Backbone interact. energy: -0.056 local terms energy: -23.506235 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.784 flat angles P-C4'-P energy: -0.567 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: 4, replica: 9 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -34.350437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.350437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.350437 (E_RNA) where: Base-Base interactions energy: -10.439 where: short stacking energy: -10.439 Base-Backbone interact. energy: -0.001 local terms energy: -23.910587 where: bonds (distance) C4'-P energy: -5.049 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -4.337 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: 5, replica: 1 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -42.387659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.387659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.387659 (E_RNA) where: Base-Base interactions energy: -14.156 where: short stacking energy: -14.156 Base-Backbone interact. energy: -0.000 local terms energy: -28.231257 where: bonds (distance) C4'-P energy: -5.247 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.768 flat angles P-C4'-P energy: -4.499 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: 6, replica: 6 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -28.047023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.047023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.047023 (E_RNA) where: Base-Base interactions energy: -7.844 where: short stacking energy: -7.844 Base-Backbone interact. energy: -0.072 local terms energy: -20.131509 where: bonds (distance) C4'-P energy: -3.992 bonds (distance) P-C4' energy: -5.971 flat angles C4'-P-C4' energy: -3.516 flat angles P-C4'-P energy: -5.072 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: 7, replica: 10 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -29.817520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.817520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.817520 (E_RNA) where: Base-Base interactions energy: -6.247 where: short stacking energy: -6.175 Base-Backbone interact. energy: -0.105 local terms energy: -23.465513 where: bonds (distance) C4'-P energy: -5.318 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -7.007 flat angles P-C4'-P energy: -4.389 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: 8, replica: 7 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -33.752576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.752576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.752576 (E_RNA) where: Base-Base interactions energy: -12.628 where: short stacking energy: -12.628 Base-Backbone interact. energy: -0.000 local terms energy: -21.124638 where: bonds (distance) C4'-P energy: -4.697 bonds (distance) P-C4' energy: -4.467 flat angles C4'-P-C4' energy: -4.547 flat angles P-C4'-P energy: -2.187 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: 9, replica: 3 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -32.230695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.230695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.230695 (E_RNA) where: Base-Base interactions energy: -8.657 where: short stacking energy: -8.692 Base-Backbone interact. energy: -0.006 local terms energy: -23.567430 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -2.965 flat angles P-C4'-P energy: -4.105 tors. eta vs tors. theta energy: -3.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -28.720587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.720587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.720587 (E_RNA) where: Base-Base interactions energy: -7.433 where: short stacking energy: -7.433 Base-Backbone interact. energy: -0.105 local terms energy: -21.182180 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -0.194 flat angles P-C4'-P energy: -5.313 tors. eta vs tors. theta energy: -2.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -36.650763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.650763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.650763 (E_RNA) where: Base-Base interactions energy: -14.768 where: short stacking energy: -14.768 Base-Backbone interact. energy: -0.026 local terms energy: -21.857209 where: bonds (distance) C4'-P energy: -5.752 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -5.891 flat angles P-C4'-P energy: -1.136 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: 2, replica: 5 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -39.313119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.313119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.313119 (E_RNA) where: Base-Base interactions energy: -11.646 where: short stacking energy: -11.646 Base-Backbone interact. energy: -0.000 local terms energy: -27.667028 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -5.989 flat angles P-C4'-P energy: -4.558 tors. eta vs tors. theta energy: -4.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -35.091277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.091277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.091277 (E_RNA) where: Base-Base interactions energy: -9.406 where: short stacking energy: -9.406 Base-Backbone interact. energy: -0.234 local terms energy: -25.451523 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -5.994 flat angles C4'-P-C4' energy: -7.131 flat angles P-C4'-P energy: -5.588 tors. eta vs tors. theta energy: -0.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -32.972108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.972108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.972108 (E_RNA) where: Base-Base interactions energy: -11.010 where: short stacking energy: -11.010 Base-Backbone interact. energy: -0.000 local terms energy: -21.961426 where: bonds (distance) C4'-P energy: -5.111 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -3.929 flat angles P-C4'-P energy: -2.778 tors. eta vs tors. theta energy: -2.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -37.565871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.565871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.565871 (E_RNA) where: Base-Base interactions energy: -8.556 where: short stacking energy: -8.556 Base-Backbone interact. energy: -0.002 local terms energy: -29.007763 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -7.345 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: -5.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -33.008416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.008416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.008416 (E_RNA) where: Base-Base interactions energy: -6.671 where: short stacking energy: -6.671 Base-Backbone interact. energy: -0.003 local terms energy: -26.334883 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -7.606 flat angles P-C4'-P energy: -2.537 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: 7, replica: 6 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -32.077823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.077823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.077823 (E_RNA) where: Base-Base interactions energy: -4.845 where: short stacking energy: -4.845 Base-Backbone interact. energy: -0.007 local terms energy: -27.225620 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -5.810 flat angles P-C4'-P energy: -4.000 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: 8, replica: 3 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -32.187320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.187320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.187320 (E_RNA) where: Base-Base interactions energy: -6.741 where: short stacking energy: -6.741 Base-Backbone interact. energy: -0.060 local terms energy: -25.385459 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.835 flat angles P-C4'-P energy: -3.054 tors. eta vs tors. theta energy: -2.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -27.801777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.801777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.801777 (E_RNA) where: Base-Base interactions energy: -2.758 where: short stacking energy: -2.010 Base-Backbone interact. energy: -0.011 local terms energy: -25.032488 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.951 flat angles P-C4'-P energy: -4.895 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: 8 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -26.292391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.292391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.292391 (E_RNA) where: Base-Base interactions energy: -3.679 where: short stacking energy: -3.679 Base-Backbone interact. energy: -0.159 local terms energy: -22.454194 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -1.807 flat angles P-C4'-P energy: -6.473 tors. eta vs tors. theta energy: -1.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -39.606447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.606447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.606447 (E_RNA) where: Base-Base interactions energy: -14.326 where: short stacking energy: -14.326 Base-Backbone interact. energy: -0.007 local terms energy: -25.273617 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -7.284 flat angles P-C4'-P energy: -2.632 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: 2, replica: 2 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -35.856055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.856055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.856055 (E_RNA) where: Base-Base interactions energy: -11.039 where: short stacking energy: -11.039 Base-Backbone interact. energy: -0.000 local terms energy: -24.817299 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -0.720 flat angles P-C4'-P energy: -5.358 tors. eta vs tors. theta energy: -4.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -33.320156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.320156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.320156 (E_RNA) where: Base-Base interactions energy: -9.880 where: short stacking energy: -9.880 Base-Backbone interact. energy: 0.395 local terms energy: -23.835413 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -5.845 flat angles P-C4'-P energy: -3.898 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: 4, replica: 4 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -36.322564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.322564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.322564 (E_RNA) where: Base-Base interactions energy: -12.733 where: short stacking energy: -12.733 Base-Backbone interact. energy: -0.001 local terms energy: -23.588700 where: bonds (distance) C4'-P energy: -6.179 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -3.683 flat angles P-C4'-P energy: -4.444 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: 5, replica: 10 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -33.824980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.824980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.824980 (E_RNA) where: Base-Base interactions energy: -10.369 where: short stacking energy: -10.369 Base-Backbone interact. energy: -0.090 local terms energy: -23.366067 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -4.987 flat angles P-C4'-P energy: -3.495 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: 6, replica: 9 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -42.202112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.202112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.202112 (E_RNA) where: Base-Base interactions energy: -16.168 where: short stacking energy: -15.681 Base-Backbone interact. energy: -0.051 local terms energy: -25.982899 where: bonds (distance) C4'-P energy: -6.345 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.381 flat angles P-C4'-P energy: -3.799 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: 7, replica: 3 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -27.955711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.955711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.955711 (E_RNA) where: Base-Base interactions energy: -8.023 where: short stacking energy: -2.824 Base-Backbone interact. energy: -0.014 local terms energy: -19.918552 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -6.319 flat angles P-C4'-P energy: -1.592 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: 8, replica: 6 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -28.425184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.425184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.425184 (E_RNA) where: Base-Base interactions energy: -4.916 where: short stacking energy: -4.916 Base-Backbone interact. energy: -0.001 local terms energy: -23.508329 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -5.417 flat angles C4'-P-C4' energy: -6.012 flat angles P-C4'-P energy: -3.387 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: 9, replica: 7 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -34.693826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.693826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.693826 (E_RNA) where: Base-Base interactions energy: -10.693 where: short stacking energy: -10.693 Base-Backbone interact. energy: -0.089 local terms energy: -23.912668 where: bonds (distance) C4'-P energy: -5.111 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -6.019 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: -3.816 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: 8 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -26.386410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.386410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.386410 (E_RNA) where: Base-Base interactions energy: -6.705 where: short stacking energy: -6.705 Base-Backbone interact. energy: -0.054 local terms energy: -19.626624 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.668 flat angles P-C4'-P energy: -1.270 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: 1, replica: 5 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -42.101684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.101684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.101684 (E_RNA) where: Base-Base interactions energy: -15.926 where: short stacking energy: -15.926 Base-Backbone interact. energy: -0.009 local terms energy: -26.166663 where: bonds (distance) C4'-P energy: -6.278 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.050 flat angles P-C4'-P energy: -4.288 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: 2, replica: 1 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -44.888482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.888482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.888482 (E_RNA) where: Base-Base interactions energy: -14.825 where: short stacking energy: -14.825 Base-Backbone interact. energy: -0.000 local terms energy: -30.063324 where: bonds (distance) C4'-P energy: -5.281 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -6.816 flat angles P-C4'-P energy: -4.411 tors. eta vs tors. theta energy: -7.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -40.272557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.272557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.272557 (E_RNA) where: Base-Base interactions energy: -11.736 where: short stacking energy: -11.736 Base-Backbone interact. energy: -0.001 local terms energy: -28.535295 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -6.618 flat angles P-C4'-P energy: -4.421 tors. eta vs tors. theta energy: -5.480 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: 10 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -34.908785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.908785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.908785 (E_RNA) where: Base-Base interactions energy: -9.519 where: short stacking energy: -9.519 Base-Backbone interact. energy: -0.067 local terms energy: -25.322536 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -4.065 flat angles P-C4'-P energy: -3.874 tors. eta vs tors. theta energy: -3.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -33.812136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.812136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.812136 (E_RNA) where: Base-Base interactions energy: -8.528 where: short stacking energy: -8.528 Base-Backbone interact. energy: -0.103 local terms energy: -25.181378 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.865 flat angles P-C4'-P energy: -1.885 tors. eta vs tors. theta energy: -4.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -28.568531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.568531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.568531 (E_RNA) where: Base-Base interactions energy: -3.907 where: short stacking energy: -3.907 Base-Backbone interact. energy: -0.030 local terms energy: -24.631692 where: bonds (distance) C4'-P energy: -5.023 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.419 flat angles P-C4'-P energy: -3.286 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: 7, replica: 9 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -34.386990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.386990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.386990 (E_RNA) where: Base-Base interactions energy: -10.677 where: short stacking energy: -10.677 Base-Backbone interact. energy: -0.082 local terms energy: -23.627737 where: bonds (distance) C4'-P energy: -5.177 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -4.649 flat angles P-C4'-P energy: -4.664 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: 8, replica: 7 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -30.319238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.319238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.319238 (E_RNA) where: Base-Base interactions energy: -4.885 where: short stacking energy: -4.885 Base-Backbone interact. energy: -0.011 local terms energy: -25.423754 where: bonds (distance) C4'-P energy: -5.289 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.974 flat angles P-C4'-P energy: -4.042 tors. eta vs tors. theta energy: -1.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -27.270158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.270158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.270158 (E_RNA) where: Base-Base interactions energy: -4.067 where: short stacking energy: -4.067 Base-Backbone interact. energy: -0.058 local terms energy: -23.144679 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -4.443 flat angles P-C4'-P energy: -5.044 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: 10, replica: 8 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -30.855247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.855247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.855247 (E_RNA) where: Base-Base interactions energy: -7.462 where: short stacking energy: -7.462 Base-Backbone interact. energy: -0.003 local terms energy: -23.390133 where: bonds (distance) C4'-P energy: -4.482 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -4.613 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: 1, replica: 1 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -34.867434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.867434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.867434 (E_RNA) where: Base-Base interactions energy: -8.130 where: short stacking energy: -8.130 Base-Backbone interact. energy: -0.037 local terms energy: -26.700289 where: bonds (distance) C4'-P energy: -4.933 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.324 flat angles P-C4'-P energy: -5.028 tors. eta vs tors. theta energy: -2.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -36.141262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.141262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.141262 (E_RNA) where: Base-Base interactions energy: -8.453 where: short stacking energy: -8.453 Base-Backbone interact. energy: -0.239 local terms energy: -27.449489 where: bonds (distance) C4'-P energy: -5.814 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -7.411 flat angles P-C4'-P energy: -4.124 tors. eta vs tors. theta energy: -2.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -33.833405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.833405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.833405 (E_RNA) where: Base-Base interactions energy: -6.736 where: short stacking energy: -6.736 Base-Backbone interact. energy: -0.002 local terms energy: -27.095176 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -6.330 flat angles C4'-P-C4' energy: -6.247 flat angles P-C4'-P energy: -5.242 tors. eta vs tors. theta energy: -3.250 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: 4, replica: 2 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -37.693694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.693694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.693694 (E_RNA) where: Base-Base interactions energy: -12.071 where: short stacking energy: -10.982 Base-Backbone interact. energy: -0.097 local terms energy: -25.526071 where: bonds (distance) C4'-P energy: -4.606 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -5.134 flat angles P-C4'-P energy: -5.626 tors. eta vs tors. theta energy: -3.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -33.965910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.965910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.965910 (E_RNA) where: Base-Base interactions energy: -7.774 where: short stacking energy: -7.774 Base-Backbone interact. energy: -0.856 local terms energy: -25.335700 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -7.258 flat angles P-C4'-P energy: -4.160 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: 6, replica: 4 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -34.493236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.493236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.493236 (E_RNA) where: Base-Base interactions energy: -12.178 where: short stacking energy: -12.178 Base-Backbone interact. energy: -0.024 local terms energy: -22.291244 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.473 flat angles C4'-P-C4' energy: -4.741 flat angles P-C4'-P energy: -3.874 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: 7, replica: 9 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -32.488092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.488092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.488092 (E_RNA) where: Base-Base interactions energy: -8.827 where: short stacking energy: -8.827 Base-Backbone interact. energy: -0.002 local terms energy: -23.658612 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.451 flat angles P-C4'-P energy: -1.650 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: 8, replica: 7 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -29.208227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.208227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.208227 (E_RNA) where: Base-Base interactions energy: -11.038 where: short stacking energy: -11.038 Base-Backbone interact. energy: -0.552 local terms energy: -17.617718 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -2.031 flat angles P-C4'-P energy: -3.306 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: 9, replica: 8 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -29.219938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.219938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.219938 (E_RNA) where: Base-Base interactions energy: -8.003 where: short stacking energy: -6.677 Base-Backbone interact. energy: -0.003 local terms energy: -21.214045 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -5.532 flat angles P-C4'-P energy: -4.157 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: 10, replica: 6 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -28.569863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.569863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.569863 (E_RNA) where: Base-Base interactions energy: -8.987 where: short stacking energy: -8.987 Base-Backbone interact. energy: 0.417 local terms energy: -19.999811 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: -4.754 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: 1, replica: 1 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -43.254936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.254936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.254936 (E_RNA) where: Base-Base interactions energy: -16.862 where: short stacking energy: -16.862 Base-Backbone interact. energy: -0.000 local terms energy: -26.392753 where: bonds (distance) C4'-P energy: -5.310 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -3.784 flat angles P-C4'-P energy: -5.616 tors. eta vs tors. theta energy: -5.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -40.672055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.672055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.672055 (E_RNA) where: Base-Base interactions energy: -14.281 where: short stacking energy: -11.051 Base-Backbone interact. energy: -0.102 local terms energy: -26.289915 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -3.971 flat angles P-C4'-P energy: -6.184 tors. eta vs tors. theta energy: -1.804 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: 443 Temperature: 1.000000 Total energy: -32.487084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.487084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.487084 (E_RNA) where: Base-Base interactions energy: -5.106 where: short stacking energy: -5.106 Base-Backbone interact. energy: -0.016 local terms energy: -27.365160 where: bonds (distance) C4'-P energy: -5.326 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -7.174 flat angles P-C4'-P energy: -2.855 tors. eta vs tors. theta energy: -5.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -40.316066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.316066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.316066 (E_RNA) where: Base-Base interactions energy: -12.674 where: short stacking energy: -12.674 Base-Backbone interact. energy: -0.000 local terms energy: -27.642540 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.308 flat angles C4'-P-C4' energy: -6.311 flat angles P-C4'-P energy: -3.696 tors. eta vs tors. theta energy: -4.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -32.798300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.798300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.798300 (E_RNA) where: Base-Base interactions energy: -5.778 where: short stacking energy: -5.778 Base-Backbone interact. energy: -0.012 local terms energy: -27.008806 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.233 flat angles P-C4'-P energy: -5.094 tors. eta vs tors. theta energy: -3.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -32.206190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.206190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.206190 (E_RNA) where: Base-Base interactions energy: -10.159 where: short stacking energy: -10.159 Base-Backbone interact. energy: -0.029 local terms energy: -22.018328 where: bonds (distance) C4'-P energy: -4.610 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -6.668 flat angles P-C4'-P energy: -4.077 tors. eta vs tors. theta energy: -0.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -34.581190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.581190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.581190 (E_RNA) where: Base-Base interactions energy: -6.739 where: short stacking energy: -6.739 Base-Backbone interact. energy: -0.092 local terms energy: -27.750996 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.387 flat angles P-C4'-P energy: -4.333 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: 8, replica: 8 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -30.632373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.632373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.632373 (E_RNA) where: Base-Base interactions energy: -7.517 where: short stacking energy: -7.517 Base-Backbone interact. energy: -0.000 local terms energy: -23.115582 where: bonds (distance) C4'-P energy: -5.620 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -3.611 flat angles P-C4'-P energy: -3.938 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: 9, replica: 7 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -31.959010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.959010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.959010 (E_RNA) where: Base-Base interactions energy: -5.460 where: short stacking energy: -5.460 Base-Backbone interact. energy: -0.068 local terms energy: -26.431316 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.444 flat angles P-C4'-P energy: -4.899 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: 10, replica: 6 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -27.094836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.094836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.094836 (E_RNA) where: Base-Base interactions energy: -7.444 where: short stacking energy: -7.444 Base-Backbone interact. energy: -0.139 local terms energy: -19.512673 where: bonds (distance) C4'-P energy: -4.866 bonds (distance) P-C4' energy: -5.948 flat angles C4'-P-C4' energy: -6.385 flat angles P-C4'-P energy: -4.374 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: 1, replica: 10 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -42.990286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.990286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.990286 (E_RNA) where: Base-Base interactions energy: -13.385 where: short stacking energy: -9.349 Base-Backbone interact. energy: -0.866 local terms energy: -28.739270 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.489 flat angles P-C4'-P energy: -5.255 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: 2, replica: 1 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -37.228813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.228813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.228813 (E_RNA) where: Base-Base interactions energy: -12.929 where: short stacking energy: -12.929 Base-Backbone interact. energy: -0.034 local terms energy: -24.265112 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.267 flat angles P-C4'-P energy: -4.863 tors. eta vs tors. theta energy: -2.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -34.556076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.556076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.556076 (E_RNA) where: Base-Base interactions energy: -5.375 where: short stacking energy: -4.399 Base-Backbone interact. energy: -0.000 local terms energy: -29.180842 where: bonds (distance) C4'-P energy: -5.493 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -6.934 flat angles P-C4'-P energy: -5.399 tors. eta vs tors. theta energy: -4.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -34.133304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.133304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.133304 (E_RNA) where: Base-Base interactions energy: -6.956 where: short stacking energy: -6.956 Base-Backbone interact. energy: -0.175 local terms energy: -27.002547 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.301 flat angles P-C4'-P energy: -4.972 tors. eta vs tors. theta energy: -2.295 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: 9 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -30.352720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.352720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.352720 (E_RNA) where: Base-Base interactions energy: -4.127 where: short stacking energy: -4.127 Base-Backbone interact. energy: -0.000 local terms energy: -26.225988 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.732 flat angles P-C4'-P energy: -4.776 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: 6, replica: 2 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -29.936836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.936836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.936836 (E_RNA) where: Base-Base interactions energy: -7.759 where: short stacking energy: -7.759 Base-Backbone interact. energy: 0.845 local terms energy: -23.022847 where: bonds (distance) C4'-P energy: -4.953 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -4.998 flat angles P-C4'-P energy: -4.878 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: 7, replica: 8 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -32.013756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.013756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.013756 (E_RNA) where: Base-Base interactions energy: -7.783 where: short stacking energy: -7.783 Base-Backbone interact. energy: -0.088 local terms energy: -24.143323 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.389 flat angles P-C4'-P energy: -3.783 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: 8, replica: 4 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -31.947730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.947730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.947730 (E_RNA) where: Base-Base interactions energy: -8.849 where: short stacking energy: -6.734 Base-Backbone interact. energy: -0.006 local terms energy: -23.092156 where: bonds (distance) C4'-P energy: -5.785 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -4.597 flat angles P-C4'-P energy: -3.666 tors. eta vs tors. theta energy: -1.273 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: 9, replica: 6 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -33.004351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.004351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.004351 (E_RNA) where: Base-Base interactions energy: -8.377 where: short stacking energy: -8.377 Base-Backbone interact. energy: -0.070 local terms energy: -24.556548 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.040 flat angles P-C4'-P energy: -4.982 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: 10, replica: 7 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -29.539209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.539209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.539209 (E_RNA) where: Base-Base interactions energy: -6.665 where: short stacking energy: -6.665 Base-Backbone interact. energy: -0.001 local terms energy: -22.873364 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -3.131 flat angles P-C4'-P energy: -5.296 tors. eta vs tors. theta energy: -0.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -35.529983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.529983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.529983 (E_RNA) where: Base-Base interactions energy: -11.263 where: short stacking energy: -11.263 Base-Backbone interact. energy: -0.000 local terms energy: -24.266770 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.002 flat angles C4'-P-C4' energy: -7.071 flat angles P-C4'-P energy: -3.271 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: 2, replica: 3 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -34.989737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.989737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.989737 (E_RNA) where: Base-Base interactions energy: -13.564 where: short stacking energy: -13.564 Base-Backbone interact. energy: -0.147 local terms energy: -21.278760 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.135 flat angles C4'-P-C4' energy: -4.255 flat angles P-C4'-P energy: -4.747 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: 3, replica: 1 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -33.568127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.568127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.568127 (E_RNA) where: Base-Base interactions energy: -10.458 where: short stacking energy: -10.458 Base-Backbone interact. energy: -0.086 local terms energy: -23.024211 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.265 flat angles P-C4'-P energy: -3.110 tors. eta vs tors. theta energy: 0.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -39.013642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.013642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.013642 (E_RNA) where: Base-Base interactions energy: -13.570 where: short stacking energy: -13.570 Base-Backbone interact. energy: -0.005 local terms energy: -25.438111 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.614 flat angles P-C4'-P energy: -2.533 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: 5 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -30.462979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.462979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.462979 (E_RNA) where: Base-Base interactions energy: -7.175 where: short stacking energy: -7.175 Base-Backbone interact. energy: -0.003 local terms energy: -23.285104 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.717 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -5.400 tors. eta vs tors. theta energy: -0.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -27.530966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.530966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.530966 (E_RNA) where: Base-Base interactions energy: -4.441 where: short stacking energy: -3.605 Base-Backbone interact. energy: -0.028 local terms energy: -23.061623 where: bonds (distance) C4'-P energy: -5.309 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.979 flat angles P-C4'-P energy: -4.601 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: 7, replica: 2 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -33.827856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.827856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.827856 (E_RNA) where: Base-Base interactions energy: -7.199 where: short stacking energy: -7.199 Base-Backbone interact. energy: -0.000 local terms energy: -26.628665 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -4.908 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: 8, replica: 6 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -31.676244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.676244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.676244 (E_RNA) where: Base-Base interactions energy: -5.336 where: short stacking energy: -5.336 Base-Backbone interact. energy: -0.046 local terms energy: -26.294180 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.990 flat angles P-C4'-P energy: -3.716 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: 9, replica: 4 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -32.329400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.329400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.329400 (E_RNA) where: Base-Base interactions energy: -7.606 where: short stacking energy: -7.606 Base-Backbone interact. energy: -0.002 local terms energy: -24.721060 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.520 flat angles C4'-P-C4' energy: -5.120 flat angles P-C4'-P energy: -5.972 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: 10, replica: 7 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -26.477190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.477190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.477190 (E_RNA) where: Base-Base interactions energy: -4.918 where: short stacking energy: -4.918 Base-Backbone interact. energy: -0.138 local terms energy: -21.421084 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -4.349 flat angles P-C4'-P energy: -3.004 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: 1, replica: 3 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -37.552884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.552884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.552884 (E_RNA) where: Base-Base interactions energy: -10.845 where: short stacking energy: -10.845 Base-Backbone interact. energy: -0.000 local terms energy: -26.707617 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.657 flat angles P-C4'-P energy: -4.806 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: 2, replica: 10 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -39.946205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.946205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.946205 (E_RNA) where: Base-Base interactions energy: -14.535 where: short stacking energy: -14.535 Base-Backbone interact. energy: -0.000 local terms energy: -25.411218 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -2.402 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -6.128 tors. eta vs tors. theta energy: -4.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -35.828357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.828357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.828357 (E_RNA) where: Base-Base interactions energy: -10.031 where: short stacking energy: -10.031 Base-Backbone interact. energy: -0.003 local terms energy: -25.793949 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.276 flat angles P-C4'-P energy: -3.457 tors. eta vs tors. theta energy: -1.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -37.197141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.197141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.197141 (E_RNA) where: Base-Base interactions energy: -9.160 where: short stacking energy: -9.160 Base-Backbone interact. energy: -1.052 local terms energy: -26.984445 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -4.575 flat angles P-C4'-P energy: -4.343 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: 5, replica: 8 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -36.463262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.463262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.463262 (E_RNA) where: Base-Base interactions energy: -12.606 where: short stacking energy: -12.606 Base-Backbone interact. energy: -0.004 local terms energy: -23.852835 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -4.881 flat angles P-C4'-P energy: -3.088 tors. eta vs tors. theta energy: -2.757 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: 5 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -28.304479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.304479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.304479 (E_RNA) where: Base-Base interactions energy: -3.976 where: short stacking energy: -3.976 Base-Backbone interact. energy: -0.197 local terms energy: -24.131987 where: bonds (distance) C4'-P energy: -7.425 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -4.831 flat angles P-C4'-P energy: -2.610 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: 2 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -32.461159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.461159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.461159 (E_RNA) where: Base-Base interactions energy: -8.180 where: short stacking energy: -8.180 Base-Backbone interact. energy: -0.061 local terms energy: -24.220595 where: bonds (distance) C4'-P energy: -5.297 bonds (distance) P-C4' energy: -5.765 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -5.052 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: 6 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -32.403521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.403521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.403521 (E_RNA) where: Base-Base interactions energy: -6.143 where: short stacking energy: -6.143 Base-Backbone interact. energy: -0.079 local terms energy: -26.181722 where: bonds (distance) C4'-P energy: -4.759 bonds (distance) P-C4' energy: -5.191 flat angles C4'-P-C4' energy: -6.475 flat angles P-C4'-P energy: -4.251 tors. eta vs tors. theta energy: -5.507 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: 7 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -32.231103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.231103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.231103 (E_RNA) where: Base-Base interactions energy: -12.584 where: short stacking energy: -5.481 Base-Backbone interact. energy: -0.064 local terms energy: -19.583095 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -3.949 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: 10, replica: 4 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -26.690979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.690979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.690979 (E_RNA) where: Base-Base interactions energy: -1.399 where: short stacking energy: -1.399 Base-Backbone interact. energy: -0.107 local terms energy: -25.184982 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.457 flat angles P-C4'-P energy: -5.234 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: 1, replica: 3 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -36.779867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.779867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.779867 (E_RNA) where: Base-Base interactions energy: -11.433 where: short stacking energy: -11.433 Base-Backbone interact. energy: -0.189 local terms energy: -25.157968 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -4.634 flat angles P-C4'-P energy: -3.719 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: 2, replica: 10 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -36.349812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.349812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.349812 (E_RNA) where: Base-Base interactions energy: -9.158 where: short stacking energy: -9.158 Base-Backbone interact. energy: -0.215 local terms energy: -26.976576 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.914 flat angles P-C4'-P energy: -4.442 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: 3, replica: 9 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -34.190368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.190368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.190368 (E_RNA) where: Base-Base interactions energy: -10.368 where: short stacking energy: -10.368 Base-Backbone interact. energy: -0.000 local terms energy: -23.822489 where: bonds (distance) C4'-P energy: -6.100 bonds (distance) P-C4' energy: -5.765 flat angles C4'-P-C4' energy: -6.997 flat angles P-C4'-P energy: -2.911 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: 4, replica: 8 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -36.769629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.769629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.769629 (E_RNA) where: Base-Base interactions energy: -11.974 where: short stacking energy: -10.872 Base-Backbone interact. energy: -0.460 local terms energy: -24.335348 where: bonds (distance) C4'-P energy: -2.532 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -3.969 tors. eta vs tors. theta energy: -4.045 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: 1 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -31.138107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.138107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.138107 (E_RNA) where: Base-Base interactions energy: -6.673 where: short stacking energy: -5.527 Base-Backbone interact. energy: -0.011 local terms energy: -24.454201 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.388 flat angles C4'-P-C4' energy: -6.182 flat angles P-C4'-P energy: -4.585 tors. eta vs tors. theta energy: -1.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -31.933865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.933865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.933865 (E_RNA) where: Base-Base interactions energy: -10.276 where: short stacking energy: -10.276 Base-Backbone interact. energy: 0.870 local terms energy: -22.528166 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.221 flat angles P-C4'-P energy: -3.229 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: 5 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -32.167446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.167446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.167446 (E_RNA) where: Base-Base interactions energy: -8.523 where: short stacking energy: -8.523 Base-Backbone interact. energy: -0.004 local terms energy: -23.640856 where: bonds (distance) C4'-P energy: -3.202 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -7.097 flat angles P-C4'-P energy: -5.740 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: 7 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -32.457702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.457702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.457702 (E_RNA) where: Base-Base interactions energy: -8.081 where: short stacking energy: -8.081 Base-Backbone interact. energy: -0.003 local terms energy: -24.373020 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.163 flat angles P-C4'-P energy: -3.113 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: 9, replica: 6 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -28.976258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.976258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.976258 (E_RNA) where: Base-Base interactions energy: -8.104 where: short stacking energy: -8.104 Base-Backbone interact. energy: -0.005 local terms energy: -20.867443 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -3.463 flat angles P-C4'-P energy: -2.959 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: 10, replica: 4 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -29.211369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.211369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.211369 (E_RNA) where: Base-Base interactions energy: -11.247 where: short stacking energy: -11.247 Base-Backbone interact. energy: -0.004 local terms energy: -17.960023 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -1.667 flat angles P-C4'-P energy: -2.391 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: 1, replica: 10 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -41.015624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.015624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.015624 (E_RNA) where: Base-Base interactions energy: -11.173 where: short stacking energy: -11.173 Base-Backbone interact. energy: -0.000 local terms energy: -29.842686 where: bonds (distance) C4'-P energy: -6.295 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.129 flat angles P-C4'-P energy: -4.599 tors. eta vs tors. theta energy: -5.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -37.675210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.675210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.675210 (E_RNA) where: Base-Base interactions energy: -11.427 where: short stacking energy: -11.427 Base-Backbone interact. energy: -0.082 local terms energy: -26.166921 where: bonds (distance) C4'-P energy: -4.286 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.619 flat angles P-C4'-P energy: -4.970 tors. eta vs tors. theta energy: -3.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -38.773471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.773471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.773471 (E_RNA) where: Base-Base interactions energy: -12.480 where: short stacking energy: -10.384 Base-Backbone interact. energy: -0.003 local terms energy: -26.290139 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -6.731 flat angles C4'-P-C4' energy: -5.035 flat angles P-C4'-P energy: -2.327 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: 4, replica: 9 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -37.099848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.099848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.099848 (E_RNA) where: Base-Base interactions energy: -10.344 where: short stacking energy: -9.684 Base-Backbone interact. energy: -0.000 local terms energy: -26.755398 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.319 flat angles P-C4'-P energy: -4.517 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: 5, replica: 2 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -34.409851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.409851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.409851 (E_RNA) where: Base-Base interactions energy: -10.190 where: short stacking energy: -10.190 Base-Backbone interact. energy: -0.057 local terms energy: -24.162113 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.887 flat angles P-C4'-P energy: 0.346 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: 6, replica: 1 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -32.487471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.487471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.487471 (E_RNA) where: Base-Base interactions energy: -7.963 where: short stacking energy: -7.963 Base-Backbone interact. energy: -0.006 local terms energy: -24.518545 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.282 flat angles P-C4'-P energy: -5.144 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: 7, replica: 5 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -36.309193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.309193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.309193 (E_RNA) where: Base-Base interactions energy: -14.052 where: short stacking energy: -14.052 Base-Backbone interact. energy: -0.000 local terms energy: -22.256927 where: bonds (distance) C4'-P energy: -5.189 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -2.804 flat angles P-C4'-P energy: -5.082 tors. eta vs tors. theta energy: -3.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -32.754128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.754128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.754128 (E_RNA) where: Base-Base interactions energy: -10.680 where: short stacking energy: -10.680 Base-Backbone interact. energy: -0.020 local terms energy: -22.054092 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -5.296 flat angles C4'-P-C4' energy: -7.346 flat angles P-C4'-P energy: -3.901 tors. eta vs tors. theta energy: 0.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -29.092353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.092353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.092353 (E_RNA) where: Base-Base interactions energy: -6.941 where: short stacking energy: -6.941 Base-Backbone interact. energy: -0.035 local terms energy: -22.115605 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.010 flat angles C4'-P-C4' energy: -5.150 flat angles P-C4'-P energy: -3.037 tors. eta vs tors. theta energy: 0.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -27.753993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.753993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.753993 (E_RNA) where: Base-Base interactions energy: -7.197 where: short stacking energy: -3.780 Base-Backbone interact. energy: -0.186 local terms energy: -20.370315 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.636 flat angles P-C4'-P energy: -4.498 tors. eta vs tors. theta energy: 3.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -36.448344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.448344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.448344 (E_RNA) where: Base-Base interactions energy: -10.780 where: short stacking energy: -10.780 Base-Backbone interact. energy: -0.053 local terms energy: -25.615445 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.435 flat angles P-C4'-P energy: -2.771 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: 8 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -40.551188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.551188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.551188 (E_RNA) where: Base-Base interactions energy: -10.272 where: short stacking energy: -10.272 Base-Backbone interact. energy: -0.096 local terms energy: -30.182683 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -7.264 flat angles P-C4'-P energy: -4.608 tors. eta vs tors. theta energy: -5.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -36.671211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.671211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.671211 (E_RNA) where: Base-Base interactions energy: -8.558 where: short stacking energy: -8.558 Base-Backbone interact. energy: -0.004 local terms energy: -28.109278 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -6.808 flat angles P-C4'-P energy: -3.794 tors. eta vs tors. theta energy: -3.101 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: 9 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -31.934100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.934100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.934100 (E_RNA) where: Base-Base interactions energy: -8.560 where: short stacking energy: -8.560 Base-Backbone interact. energy: -0.002 local terms energy: -23.372525 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -7.470 flat angles P-C4'-P energy: -4.894 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: 5, replica: 2 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -34.536503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.536503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.536503 (E_RNA) where: Base-Base interactions energy: -9.369 where: short stacking energy: -9.369 Base-Backbone interact. energy: -0.109 local terms energy: -25.058488 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.385 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -4.924 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: 6, replica: 5 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -31.738720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.738720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.738720 (E_RNA) where: Base-Base interactions energy: -10.865 where: short stacking energy: -10.590 Base-Backbone interact. energy: -0.097 local terms energy: -20.775841 where: bonds (distance) C4'-P energy: -5.123 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -4.099 flat angles P-C4'-P energy: -4.535 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: 7, replica: 1 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -30.624572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.624572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.624572 (E_RNA) where: Base-Base interactions energy: -11.246 where: short stacking energy: -10.344 Base-Backbone interact. energy: -0.000 local terms energy: -19.378669 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -5.075 flat angles P-C4'-P energy: -0.265 tors. eta vs tors. theta energy: -2.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -34.887461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.887461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.887461 (E_RNA) where: Base-Base interactions energy: -9.847 where: short stacking energy: -8.451 Base-Backbone interact. energy: -0.085 local terms energy: -24.955989 where: bonds (distance) C4'-P energy: -5.909 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -6.323 flat angles P-C4'-P energy: -4.176 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: 9, replica: 4 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -27.399497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.399497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.399497 (E_RNA) where: Base-Base interactions energy: -7.215 where: short stacking energy: -7.215 Base-Backbone interact. energy: -0.057 local terms energy: -20.127779 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.079 flat angles C4'-P-C4' energy: -4.015 flat angles P-C4'-P energy: -3.974 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: 10, replica: 6 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -29.744597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.744597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.744597 (E_RNA) where: Base-Base interactions energy: -8.298 where: short stacking energy: -8.298 Base-Backbone interact. energy: -0.020 local terms energy: -21.426526 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -6.271 flat angles P-C4'-P energy: -3.815 tors. eta vs tors. theta energy: -0.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -44.884449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.884449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.884449 (E_RNA) where: Base-Base interactions energy: -14.975 where: short stacking energy: -13.825 Base-Backbone interact. energy: -0.126 local terms energy: -29.783376 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.182 flat angles P-C4'-P energy: -4.169 tors. eta vs tors. theta energy: -5.074 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: 10 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -36.565978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.565978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.565978 (E_RNA) where: Base-Base interactions energy: -13.233 where: short stacking energy: -13.233 Base-Backbone interact. energy: -0.003 local terms energy: -23.330571 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -6.304 flat angles P-C4'-P energy: -5.215 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: 3, replica: 9 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -33.817475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.817475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.817475 (E_RNA) where: Base-Base interactions energy: -6.704 where: short stacking energy: -6.704 Base-Backbone interact. energy: -0.094 local terms energy: -27.020258 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -4.680 flat angles P-C4'-P energy: -4.972 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: 3 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -33.231994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.231994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.231994 (E_RNA) where: Base-Base interactions energy: -5.618 where: short stacking energy: -5.618 Base-Backbone interact. energy: -0.046 local terms energy: -27.567378 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.177 flat angles P-C4'-P energy: -5.717 tors. eta vs tors. theta energy: -3.522 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: 5 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -30.239633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.239633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.239633 (E_RNA) where: Base-Base interactions energy: -5.894 where: short stacking energy: -5.894 Base-Backbone interact. energy: -0.010 local terms energy: -24.335372 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -2.608 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: 6, replica: 2 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -34.279370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.279370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.279370 (E_RNA) where: Base-Base interactions energy: -12.715 where: short stacking energy: -12.715 Base-Backbone interact. energy: -0.001 local terms energy: -21.563123 where: bonds (distance) C4'-P energy: -3.330 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -6.222 flat angles P-C4'-P energy: -0.624 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: 7, replica: 7 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -31.692474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.692474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.692474 (E_RNA) where: Base-Base interactions energy: -7.424 where: short stacking energy: -7.424 Base-Backbone interact. energy: -0.015 local terms energy: -24.253198 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -3.883 flat angles P-C4'-P energy: -3.260 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: 8, replica: 1 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -29.926172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.926172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.926172 (E_RNA) where: Base-Base interactions energy: -5.184 where: short stacking energy: -5.184 Base-Backbone interact. energy: -0.007 local terms energy: -24.735513 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.924 flat angles P-C4'-P energy: -3.883 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: 9, replica: 6 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -27.368160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.368160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.368160 (E_RNA) where: Base-Base interactions energy: -2.685 where: short stacking energy: -2.685 Base-Backbone interact. energy: -0.820 local terms energy: -23.862760 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -4.023 flat angles P-C4'-P energy: -5.244 tors. eta vs tors. theta energy: -1.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -30.636372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.636372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.636372 (E_RNA) where: Base-Base interactions energy: -5.237 where: short stacking energy: -5.237 Base-Backbone interact. energy: -0.000 local terms energy: -25.398910 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -5.882 flat angles C4'-P-C4' energy: -5.545 flat angles P-C4'-P energy: -5.186 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: 1, replica: 8 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -35.539303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.539303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.539303 (E_RNA) where: Base-Base interactions energy: -7.625 where: short stacking energy: -7.625 Base-Backbone interact. energy: -0.025 local terms energy: -27.889425 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -7.151 flat angles P-C4'-P energy: -5.652 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: 2, replica: 9 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -39.065497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.065497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.065497 (E_RNA) where: Base-Base interactions energy: -12.593 where: short stacking energy: -12.593 Base-Backbone interact. energy: -0.001 local terms energy: -26.471812 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.429 flat angles P-C4'-P energy: -4.577 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: 10 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -39.971754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.971754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.971754 (E_RNA) where: Base-Base interactions energy: -11.811 where: short stacking energy: -11.811 Base-Backbone interact. energy: -0.011 local terms energy: -28.149182 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.159 flat angles P-C4'-P energy: -4.543 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: 4, replica: 5 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -41.355441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.355441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.355441 (E_RNA) where: Base-Base interactions energy: -13.071 where: short stacking energy: -13.071 Base-Backbone interact. energy: -0.122 local terms energy: -28.162794 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -5.855 flat angles C4'-P-C4' energy: -7.072 flat angles P-C4'-P energy: -4.786 tors. eta vs tors. theta energy: -4.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -34.157252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.157252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.157252 (E_RNA) where: Base-Base interactions energy: -7.613 where: short stacking energy: -7.613 Base-Backbone interact. energy: -0.000 local terms energy: -26.543905 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.013 flat angles P-C4'-P energy: -4.551 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: 2 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -36.287867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.287867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.287867 (E_RNA) where: Base-Base interactions energy: -12.242 where: short stacking energy: -12.242 Base-Backbone interact. energy: -0.084 local terms energy: -23.961984 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -7.053 flat angles P-C4'-P energy: -3.802 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: 7, replica: 7 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -33.072221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.072221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.072221 (E_RNA) where: Base-Base interactions energy: -9.967 where: short stacking energy: -9.967 Base-Backbone interact. energy: -0.078 local terms energy: -23.027121 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -6.603 flat angles P-C4'-P energy: -1.729 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: 8, replica: 6 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -27.796141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.796141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.796141 (E_RNA) where: Base-Base interactions energy: -6.256 where: short stacking energy: -6.256 Base-Backbone interact. energy: -0.000 local terms energy: -21.540335 where: bonds (distance) C4'-P energy: -3.905 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.427 flat angles P-C4'-P energy: -3.962 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: 451 Temperature: 1.300000 Total energy: -34.151802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.151802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.151802 (E_RNA) where: Base-Base interactions energy: -11.923 where: short stacking energy: -11.923 Base-Backbone interact. energy: -0.013 local terms energy: -22.215795 where: bonds (distance) C4'-P energy: -4.440 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.318 flat angles P-C4'-P energy: -2.297 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: 10, replica: 4 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -29.611157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.611157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.611157 (E_RNA) where: Base-Base interactions energy: -5.536 where: short stacking energy: -5.536 Base-Backbone interact. energy: -0.001 local terms energy: -24.074710 where: bonds (distance) C4'-P energy: -4.382 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -4.917 flat angles P-C4'-P energy: -5.368 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: 1, replica: 8 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -44.918797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.918797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.918797 (E_RNA) where: Base-Base interactions energy: -16.199 where: short stacking energy: -16.199 Base-Backbone interact. energy: -0.000 local terms energy: -28.719678 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -6.790 flat angles C4'-P-C4' energy: -6.882 flat angles P-C4'-P energy: -2.526 tors. eta vs tors. theta energy: -6.032 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: 9 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -35.891304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.891304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.891304 (E_RNA) where: Base-Base interactions energy: -10.471 where: short stacking energy: -10.471 Base-Backbone interact. energy: -0.026 local terms energy: -25.393840 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.144 flat angles P-C4'-P energy: -4.529 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: 3, replica: 10 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -40.921906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.921906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.921906 (E_RNA) where: Base-Base interactions energy: -11.937 where: short stacking energy: -11.937 Base-Backbone interact. energy: -0.010 local terms energy: -28.975074 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -7.466 flat angles P-C4'-P energy: -5.162 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: 4, replica: 5 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -37.237892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.237892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.237892 (E_RNA) where: Base-Base interactions energy: -11.247 where: short stacking energy: -11.447 Base-Backbone interact. energy: -0.008 local terms energy: -25.982367 where: bonds (distance) C4'-P energy: -6.141 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.422 flat angles P-C4'-P energy: -3.009 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: 5, replica: 3 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -36.904253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.904253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.904253 (E_RNA) where: Base-Base interactions energy: -11.982 where: short stacking energy: -11.982 Base-Backbone interact. energy: -0.001 local terms energy: -24.921539 where: bonds (distance) C4'-P energy: -4.031 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -6.980 flat angles P-C4'-P energy: -4.109 tors. eta vs tors. theta energy: -3.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -34.004506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.004506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.004506 (E_RNA) where: Base-Base interactions energy: -6.164 where: short stacking energy: -6.164 Base-Backbone interact. energy: -0.000 local terms energy: -27.839888 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -5.427 flat angles P-C4'-P energy: -5.082 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: 7, replica: 6 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -29.168224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.168224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.168224 (E_RNA) where: Base-Base interactions energy: -7.567 where: short stacking energy: -7.567 Base-Backbone interact. energy: -0.024 local terms energy: -21.577490 where: bonds (distance) C4'-P energy: -2.907 bonds (distance) P-C4' energy: -6.034 flat angles C4'-P-C4' energy: -6.852 flat angles P-C4'-P energy: -5.309 tors. eta vs tors. theta energy: -0.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -31.291156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.291156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.291156 (E_RNA) where: Base-Base interactions energy: -9.819 where: short stacking energy: -7.910 Base-Backbone interact. energy: -0.173 local terms energy: -21.298552 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -5.340 flat angles P-C4'-P energy: -2.372 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: 9, replica: 4 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -32.688235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.688235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.688235 (E_RNA) where: Base-Base interactions energy: -11.054 where: short stacking energy: -11.054 Base-Backbone interact. energy: -0.000 local terms energy: -21.634324 where: bonds (distance) C4'-P energy: -4.526 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -6.786 flat angles P-C4'-P energy: -0.358 tors. eta vs tors. theta energy: -5.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -29.129901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.129901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.129901 (E_RNA) where: Base-Base interactions energy: -1.863 where: short stacking energy: -1.863 Base-Backbone interact. energy: -0.025 local terms energy: -27.242032 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -5.790 flat angles C4'-P-C4' energy: -6.202 flat angles P-C4'-P energy: -5.755 tors. eta vs tors. theta energy: -2.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -40.792503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.792503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.792503 (E_RNA) where: Base-Base interactions energy: -17.477 where: short stacking energy: -16.273 Base-Backbone interact. energy: -0.005 local terms energy: -23.310680 where: bonds (distance) C4'-P energy: -5.963 bonds (distance) P-C4' energy: -3.603 flat angles C4'-P-C4' energy: -7.415 flat angles P-C4'-P energy: -2.491 tors. eta vs tors. theta energy: -3.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -33.159215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.159215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.159215 (E_RNA) where: Base-Base interactions energy: -8.818 where: short stacking energy: -8.818 Base-Backbone interact. energy: -0.119 local terms energy: -24.221909 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -4.369 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -3.234 tors. eta vs tors. theta energy: -3.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -33.628145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.628145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.628145 (E_RNA) where: Base-Base interactions energy: -10.878 where: short stacking energy: -10.878 Base-Backbone interact. energy: -0.007 local terms energy: -22.742608 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.694 flat angles P-C4'-P energy: -3.048 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: 4, replica: 3 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -32.162750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.162750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.162750 (E_RNA) where: Base-Base interactions energy: -7.325 where: short stacking energy: -7.325 Base-Backbone interact. energy: -0.006 local terms energy: -24.831631 where: bonds (distance) C4'-P energy: -5.951 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.314 flat angles P-C4'-P energy: -4.613 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: 5, replica: 5 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -31.260209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.260209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.260209 (E_RNA) where: Base-Base interactions energy: -6.659 where: short stacking energy: -6.659 Base-Backbone interact. energy: -0.274 local terms energy: -24.327050 where: bonds (distance) C4'-P energy: -5.542 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.551 flat angles P-C4'-P energy: -4.741 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: 453 Temperature: 1.150000 Total energy: -31.144473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.144473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.144473 (E_RNA) where: Base-Base interactions energy: -7.449 where: short stacking energy: -7.449 Base-Backbone interact. energy: -0.019 local terms energy: -23.676738 where: bonds (distance) C4'-P energy: -6.125 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.632 flat angles P-C4'-P energy: -5.390 tors. eta vs tors. theta energy: 1.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -32.118324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.118324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.118324 (E_RNA) where: Base-Base interactions energy: -8.334 where: short stacking energy: -7.831 Base-Backbone interact. energy: -0.010 local terms energy: -23.774167 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.880 flat angles P-C4'-P energy: -4.195 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: 8, replica: 4 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -28.994297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.994297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.994297 (E_RNA) where: Base-Base interactions energy: -10.327 where: short stacking energy: -10.327 Base-Backbone interact. energy: -0.004 local terms energy: -18.663115 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -5.181 flat angles C4'-P-C4' energy: -4.935 flat angles P-C4'-P energy: -2.975 tors. eta vs tors. theta energy: 0.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -29.563595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.563595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.563595 (E_RNA) where: Base-Base interactions energy: -8.053 where: short stacking energy: -8.053 Base-Backbone interact. energy: -0.033 local terms energy: -21.478081 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -6.397 flat angles C4'-P-C4' energy: -6.729 flat angles P-C4'-P energy: -2.419 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: 10, replica: 1 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -29.458956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.458956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.458956 (E_RNA) where: Base-Base interactions energy: -6.776 where: short stacking energy: -6.125 Base-Backbone interact. energy: -0.102 local terms energy: -22.581120 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.732 flat angles P-C4'-P energy: -3.610 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: 1, replica: 10 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -39.729299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.729299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.729299 (E_RNA) where: Base-Base interactions energy: -13.104 where: short stacking energy: -10.771 Base-Backbone interact. energy: -0.000 local terms energy: -26.624578 where: bonds (distance) C4'-P energy: -5.186 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.215 flat angles P-C4'-P energy: -4.800 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: 2, replica: 8 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -36.371026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.371026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.371026 (E_RNA) where: Base-Base interactions energy: -11.131 where: short stacking energy: -11.131 Base-Backbone interact. energy: -0.175 local terms energy: -25.065140 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.347 flat angles P-C4'-P energy: -5.150 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: 3, replica: 3 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -32.992124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.992124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.992124 (E_RNA) where: Base-Base interactions energy: -5.850 where: short stacking energy: -5.850 Base-Backbone interact. energy: -0.004 local terms energy: -27.137564 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -4.966 flat angles P-C4'-P energy: -4.512 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: 4, replica: 9 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -38.073629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.073629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.073629 (E_RNA) where: Base-Base interactions energy: -11.208 where: short stacking energy: -11.208 Base-Backbone interact. energy: -0.079 local terms energy: -26.787248 where: bonds (distance) C4'-P energy: -4.871 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -6.429 flat angles P-C4'-P energy: -5.859 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: 6 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -33.423298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.423298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.423298 (E_RNA) where: Base-Base interactions energy: -9.401 where: short stacking energy: -9.401 Base-Backbone interact. energy: -0.051 local terms energy: -23.971317 where: bonds (distance) C4'-P energy: -4.403 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.997 flat angles P-C4'-P energy: -4.281 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: 6, replica: 5 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -29.773821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.773821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.773821 (E_RNA) where: Base-Base interactions energy: -4.570 where: short stacking energy: -4.570 Base-Backbone interact. energy: -1.135 local terms energy: -24.068431 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.733 flat angles P-C4'-P energy: -5.129 tors. eta vs tors. theta energy: 1.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -32.513658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.513658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.513658 (E_RNA) where: Base-Base interactions energy: -9.862 where: short stacking energy: -9.862 Base-Backbone interact. energy: -0.019 local terms energy: -22.632451 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.917 flat angles P-C4'-P energy: -2.118 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: 8, replica: 2 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -26.327078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.327078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.327078 (E_RNA) where: Base-Base interactions energy: -3.398 where: short stacking energy: -3.398 Base-Backbone interact. energy: -0.000 local terms energy: -22.928549 where: bonds (distance) C4'-P energy: -5.595 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -3.796 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: 1 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -28.632482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.632482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.632482 (E_RNA) where: Base-Base interactions energy: -3.741 where: short stacking energy: -3.741 Base-Backbone interact. energy: -0.000 local terms energy: -24.890889 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -6.228 flat angles P-C4'-P energy: -3.082 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: 10, replica: 7 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -29.615916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.615916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.615916 (E_RNA) where: Base-Base interactions energy: -6.262 where: short stacking energy: -6.262 Base-Backbone interact. energy: -0.004 local terms energy: -23.350367 where: bonds (distance) C4'-P energy: -4.333 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.196 flat angles P-C4'-P energy: -2.851 tors. eta vs tors. theta energy: -2.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -42.060915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.060915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.060915 (E_RNA) where: Base-Base interactions energy: -12.396 where: short stacking energy: -12.396 Base-Backbone interact. energy: -0.000 local terms energy: -29.664492 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.245 flat angles P-C4'-P energy: -4.546 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: 2, replica: 3 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -34.995162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.995162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.995162 (E_RNA) where: Base-Base interactions energy: -7.116 where: short stacking energy: -7.116 Base-Backbone interact. energy: -0.000 local terms energy: -27.878757 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -5.740 flat angles P-C4'-P energy: -4.787 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: 3, replica: 8 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -36.456502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.456502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.456502 (E_RNA) where: Base-Base interactions energy: -9.202 where: short stacking energy: -9.202 Base-Backbone interact. energy: -0.000 local terms energy: -27.254375 where: bonds (distance) C4'-P energy: -5.902 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.959 flat angles P-C4'-P energy: -2.588 tors. eta vs tors. theta energy: -4.243 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: 6 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -34.491061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.491061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.491061 (E_RNA) where: Base-Base interactions energy: -7.311 where: short stacking energy: -7.311 Base-Backbone interact. energy: -0.374 local terms energy: -26.806205 where: bonds (distance) C4'-P energy: -6.754 bonds (distance) P-C4' energy: -4.599 flat angles C4'-P-C4' energy: -6.145 flat angles P-C4'-P energy: -5.102 tors. eta vs tors. theta energy: -4.205 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: 455 Temperature: 1.100000 Total energy: -31.429188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.429188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.429188 (E_RNA) where: Base-Base interactions energy: -8.110 where: short stacking energy: -8.110 Base-Backbone interact. energy: 0.242 local terms energy: -23.560940 where: bonds (distance) C4'-P energy: -5.149 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.638 flat angles P-C4'-P energy: -4.427 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: 6, replica: 4 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -35.498715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.498715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.498715 (E_RNA) where: Base-Base interactions energy: -10.308 where: short stacking energy: -10.308 Base-Backbone interact. energy: -0.000 local terms energy: -25.190149 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -6.604 flat angles P-C4'-P energy: -2.921 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: 7, replica: 5 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -31.300336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.300336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.300336 (E_RNA) where: Base-Base interactions energy: -8.021 where: short stacking energy: -5.262 Base-Backbone interact. energy: -0.035 local terms energy: -23.243718 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -5.487 flat angles C4'-P-C4' energy: -6.012 flat angles P-C4'-P energy: -5.093 tors. eta vs tors. theta energy: 0.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -35.751996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.751996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.751996 (E_RNA) where: Base-Base interactions energy: -12.413 where: short stacking energy: -11.964 Base-Backbone interact. energy: -0.314 local terms energy: -23.025094 where: bonds (distance) C4'-P energy: -3.347 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -2.887 flat angles P-C4'-P energy: -5.217 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: 9, replica: 2 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -32.339414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.339414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.339414 (E_RNA) where: Base-Base interactions energy: -8.148 where: short stacking energy: -8.148 Base-Backbone interact. energy: -0.015 local terms energy: -24.176715 where: bonds (distance) C4'-P energy: -5.496 bonds (distance) P-C4' energy: -7.022 flat angles C4'-P-C4' energy: -5.669 flat angles P-C4'-P energy: -2.407 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: 10, replica: 7 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -32.591898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.591898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.591898 (E_RNA) where: Base-Base interactions energy: -9.567 where: short stacking energy: -8.788 Base-Backbone interact. energy: -0.073 local terms energy: -22.952720 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.455 flat angles P-C4'-P energy: -4.128 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: 1, replica: 10 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -40.345944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.345944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.345944 (E_RNA) where: Base-Base interactions energy: -13.783 where: short stacking energy: -13.783 Base-Backbone interact. energy: -0.013 local terms energy: -26.549786 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.137 flat angles P-C4'-P energy: -6.034 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: 2, replica: 3 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -35.409258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.409258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.409258 (E_RNA) where: Base-Base interactions energy: -9.936 where: short stacking energy: -9.936 Base-Backbone interact. energy: -0.133 local terms energy: -25.340409 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -7.131 flat angles P-C4'-P energy: -4.775 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: 3, replica: 6 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -30.608897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.608897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.608897 (E_RNA) where: Base-Base interactions energy: -8.628 where: short stacking energy: -8.628 Base-Backbone interact. energy: -0.263 local terms energy: -21.717979 where: bonds (distance) C4'-P energy: -5.194 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -4.524 flat angles P-C4'-P energy: -4.161 tors. eta vs tors. theta energy: -0.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -32.762035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.762035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.762035 (E_RNA) where: Base-Base interactions energy: -10.095 where: short stacking energy: -10.095 Base-Backbone interact. energy: -0.148 local terms energy: -22.518700 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -5.503 flat angles P-C4'-P energy: -2.494 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: 4 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -31.884653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.884653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.884653 (E_RNA) where: Base-Base interactions energy: -7.917 where: short stacking energy: -7.917 Base-Backbone interact. energy: -0.018 local terms energy: -23.950037 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.758 flat angles P-C4'-P energy: -5.912 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: 6, replica: 9 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -35.003734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.003734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.003734 (E_RNA) where: Base-Base interactions energy: -6.506 where: short stacking energy: -6.506 Base-Backbone interact. energy: -0.002 local terms energy: -28.495684 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -6.937 flat angles P-C4'-P energy: -4.444 tors. eta vs tors. theta energy: -4.829 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: 1 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -34.907833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.907833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.907833 (E_RNA) where: Base-Base interactions energy: -9.670 where: short stacking energy: -6.988 Base-Backbone interact. energy: -0.005 local terms energy: -25.232834 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -6.750 flat angles P-C4'-P energy: -1.418 tors. eta vs tors. theta energy: -3.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -34.006296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.006296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.006296 (E_RNA) where: Base-Base interactions energy: -9.482 where: short stacking energy: -9.482 Base-Backbone interact. energy: -0.102 local terms energy: -24.422801 where: bonds (distance) C4'-P energy: -4.804 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -6.021 flat angles P-C4'-P energy: -5.465 tors. eta vs tors. theta energy: -1.543 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: 7 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -29.177748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.177748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.177748 (E_RNA) where: Base-Base interactions energy: -6.009 where: short stacking energy: -6.009 Base-Backbone interact. energy: -0.001 local terms energy: -23.168125 where: bonds (distance) C4'-P energy: -5.625 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.618 flat angles P-C4'-P energy: -2.304 tors. eta vs tors. theta energy: -3.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -26.551920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.551920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.551920 (E_RNA) where: Base-Base interactions energy: -6.448 where: short stacking energy: -6.448 Base-Backbone interact. energy: -0.080 local terms energy: -20.024259 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -6.787 flat angles C4'-P-C4' energy: -5.072 flat angles P-C4'-P energy: -2.394 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: 10 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -31.929462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.929462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.929462 (E_RNA) where: Base-Base interactions energy: -7.538 where: short stacking energy: -4.193 Base-Backbone interact. energy: -0.704 local terms energy: -23.687172 where: bonds (distance) C4'-P energy: -7.040 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -6.797 flat angles P-C4'-P energy: -6.061 tors. eta vs tors. theta energy: 2.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -38.782952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.782952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.782952 (E_RNA) where: Base-Base interactions energy: -11.339 where: short stacking energy: -11.339 Base-Backbone interact. energy: -0.010 local terms energy: -27.433790 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.729 flat angles P-C4'-P energy: -4.935 tors. eta vs tors. theta energy: -2.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -37.728920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.728920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.728920 (E_RNA) where: Base-Base interactions energy: -11.605 where: short stacking energy: -11.605 Base-Backbone interact. energy: -0.001 local terms energy: -26.123186 where: bonds (distance) C4'-P energy: -6.009 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.052 flat angles P-C4'-P energy: -3.748 tors. eta vs tors. theta energy: -3.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -38.203969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.203969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.203969 (E_RNA) where: Base-Base interactions energy: -11.264 where: short stacking energy: -11.264 Base-Backbone interact. energy: -0.000 local terms energy: -26.939740 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.852 flat angles P-C4'-P energy: -1.880 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: 5, replica: 8 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -34.561664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.561664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.561664 (E_RNA) where: Base-Base interactions energy: -7.056 where: short stacking energy: -7.056 Base-Backbone interact. energy: -0.006 local terms energy: -27.499583 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.716 flat angles P-C4'-P energy: -3.113 tors. eta vs tors. theta energy: -3.274 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: 457 Temperature: 1.150000 Total energy: -31.836834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.836834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.836834 (E_RNA) where: Base-Base interactions energy: -10.222 where: short stacking energy: -10.222 Base-Backbone interact. energy: -0.000 local terms energy: -21.614241 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -4.212 flat angles C4'-P-C4' energy: -5.892 flat angles P-C4'-P energy: -3.632 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: 7, replica: 9 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -31.282487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.282487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.282487 (E_RNA) where: Base-Base interactions energy: -7.999 where: short stacking energy: -7.999 Base-Backbone interact. energy: -0.013 local terms energy: -23.270274 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -4.742 flat angles P-C4'-P energy: -5.160 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: 8, replica: 5 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -38.308646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.308646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.308646 (E_RNA) where: Base-Base interactions energy: -12.874 where: short stacking energy: -12.874 Base-Backbone interact. energy: -0.018 local terms energy: -25.416936 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.496 flat angles P-C4'-P energy: -2.312 tors. eta vs tors. theta energy: -2.327 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: 7 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -32.621773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.621773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.621773 (E_RNA) where: Base-Base interactions energy: -9.105 where: short stacking energy: -7.100 Base-Backbone interact. energy: -0.012 local terms energy: -23.505010 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -0.433 tors. eta vs tors. theta energy: -3.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -31.193709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.193709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.193709 (E_RNA) where: Base-Base interactions energy: -7.685 where: short stacking energy: -7.685 Base-Backbone interact. energy: -0.167 local terms energy: -23.342186 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -7.267 flat angles P-C4'-P energy: -0.654 tors. eta vs tors. theta energy: -0.597 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: 1, replica: 3 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -42.097145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.097145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.097145 (E_RNA) where: Base-Base interactions energy: -15.419 where: short stacking energy: -15.419 Base-Backbone interact. energy: -0.001 local terms energy: -26.677575 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -5.976 flat angles C4'-P-C4' energy: -5.426 flat angles P-C4'-P energy: -4.316 tors. eta vs tors. theta energy: -3.990 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: 10 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -37.633202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.633202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.633202 (E_RNA) where: Base-Base interactions energy: -11.524 where: short stacking energy: -11.524 Base-Backbone interact. energy: -0.027 local terms energy: -26.082401 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -7.291 flat angles P-C4'-P energy: -4.699 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: 3, replica: 4 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -40.708858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.708858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.708858 (E_RNA) where: Base-Base interactions energy: -16.261 where: short stacking energy: -16.261 Base-Backbone interact. energy: -0.000 local terms energy: -24.447625 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -5.778 flat angles P-C4'-P energy: -1.469 tors. eta vs tors. theta energy: -4.485 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: 6 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -36.342401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.342401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.342401 (E_RNA) where: Base-Base interactions energy: -10.843 where: short stacking energy: -10.843 Base-Backbone interact. energy: -0.001 local terms energy: -25.497806 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.679 flat angles P-C4'-P energy: -4.025 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: 5, replica: 1 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -35.950519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.950519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.950519 (E_RNA) where: Base-Base interactions energy: -9.861 where: short stacking energy: -9.861 Base-Backbone interact. energy: -0.005 local terms energy: -26.084414 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.241 flat angles P-C4'-P energy: -4.054 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: 6, replica: 8 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -31.836238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.836238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.836238 (E_RNA) where: Base-Base interactions energy: -11.413 where: short stacking energy: -10.848 Base-Backbone interact. energy: -0.738 local terms energy: -19.685199 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -6.228 flat angles C4'-P-C4' energy: -3.948 flat angles P-C4'-P energy: -4.258 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: 7, replica: 9 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -28.775403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.775403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.775403 (E_RNA) where: Base-Base interactions energy: -4.715 where: short stacking energy: -4.715 Base-Backbone interact. energy: -0.068 local terms energy: -23.992936 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -3.373 flat angles P-C4'-P energy: -5.349 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: 8, replica: 5 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -27.388666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.388666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.388666 (E_RNA) where: Base-Base interactions energy: -6.387 where: short stacking energy: -6.387 Base-Backbone interact. energy: -0.001 local terms energy: -21.000922 where: bonds (distance) C4'-P energy: -5.723 bonds (distance) P-C4' energy: -6.501 flat angles C4'-P-C4' energy: -7.293 flat angles P-C4'-P energy: -3.349 tors. eta vs tors. theta energy: 1.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -28.979346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.979346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.979346 (E_RNA) where: Base-Base interactions energy: -5.243 where: short stacking energy: -5.243 Base-Backbone interact. energy: -0.003 local terms energy: -23.732638 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -4.253 flat angles P-C4'-P energy: -4.550 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: 10, replica: 7 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -33.569657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.569657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.569657 (E_RNA) where: Base-Base interactions energy: -7.047 where: short stacking energy: -7.047 Base-Backbone interact. energy: -0.000 local terms energy: -26.522720 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -4.722 flat angles P-C4'-P energy: -5.145 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: 1, replica: 3 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -41.683904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.683904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.683904 (E_RNA) where: Base-Base interactions energy: -10.487 where: short stacking energy: -10.487 Base-Backbone interact. energy: -0.000 local terms energy: -31.197300 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -5.806 flat angles P-C4'-P energy: -4.538 tors. eta vs tors. theta energy: -6.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -36.871541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.871541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.871541 (E_RNA) where: Base-Base interactions energy: -10.967 where: short stacking energy: -5.964 Base-Backbone interact. energy: -0.018 local terms energy: -25.886850 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -7.057 flat angles P-C4'-P energy: -4.722 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: 3, replica: 4 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -40.496048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.496048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.496048 (E_RNA) where: Base-Base interactions energy: -12.441 where: short stacking energy: -12.441 Base-Backbone interact. energy: -0.003 local terms energy: -28.051665 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.110 flat angles P-C4'-P energy: -4.726 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: 1 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -34.973517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.973517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.973517 (E_RNA) where: Base-Base interactions energy: -13.239 where: short stacking energy: -13.239 Base-Backbone interact. energy: -0.135 local terms energy: -21.599788 where: bonds (distance) C4'-P energy: -6.924 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -5.280 flat angles P-C4'-P energy: -2.307 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: 5, replica: 6 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -30.821623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.821623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.821623 (E_RNA) where: Base-Base interactions energy: -4.695 where: short stacking energy: -4.695 Base-Backbone interact. energy: -0.002 local terms energy: -26.124797 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -4.967 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: 6, replica: 9 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -31.383068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.383068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.383068 (E_RNA) where: Base-Base interactions energy: -8.383 where: short stacking energy: -8.383 Base-Backbone interact. energy: -0.046 local terms energy: -22.954303 where: bonds (distance) C4'-P energy: -5.364 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -6.310 flat angles P-C4'-P energy: -4.785 tors. eta vs tors. theta energy: -1.603 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: 8 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -28.808901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.808901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.808901 (E_RNA) where: Base-Base interactions energy: -6.877 where: short stacking energy: -6.877 Base-Backbone interact. energy: -0.006 local terms energy: -21.925619 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -5.259 flat angles C4'-P-C4' energy: -6.468 flat angles P-C4'-P energy: -4.442 tors. eta vs tors. theta energy: 0.298 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: 2 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -27.842045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.842045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.842045 (E_RNA) where: Base-Base interactions energy: -7.055 where: short stacking energy: -7.055 Base-Backbone interact. energy: -0.195 local terms energy: -20.591804 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.276 flat angles P-C4'-P energy: -1.825 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: 5 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -29.589136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.589136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.589136 (E_RNA) where: Base-Base interactions energy: -7.705 where: short stacking energy: -7.705 Base-Backbone interact. energy: -0.034 local terms energy: -21.850781 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.771 flat angles P-C4'-P energy: -2.514 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: 10, replica: 7 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -27.616068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.616068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.616068 (E_RNA) where: Base-Base interactions energy: -8.320 where: short stacking energy: -8.320 Base-Backbone interact. energy: -0.075 local terms energy: -19.220340 where: bonds (distance) C4'-P energy: -2.060 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -2.139 flat angles P-C4'-P energy: -5.484 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: 1, replica: 10 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -43.925930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.925930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.925930 (E_RNA) where: Base-Base interactions energy: -14.792 where: short stacking energy: -14.792 Base-Backbone interact. energy: -0.074 local terms energy: -29.059996 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.209 flat angles P-C4'-P energy: -5.618 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: 2, replica: 3 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -35.073560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.073560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.073560 (E_RNA) where: Base-Base interactions energy: -11.076 where: short stacking energy: -11.076 Base-Backbone interact. energy: -0.000 local terms energy: -23.997187 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -4.824 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: 1 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -32.807584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.807584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.807584 (E_RNA) where: Base-Base interactions energy: -7.058 where: short stacking energy: -7.058 Base-Backbone interact. energy: -0.054 local terms energy: -25.695769 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -7.304 flat angles P-C4'-P energy: -5.461 tors. eta vs tors. theta energy: 0.851 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: 4, replica: 4 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -32.637100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.637100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.637100 (E_RNA) where: Base-Base interactions energy: -10.610 where: short stacking energy: -10.610 Base-Backbone interact. energy: -0.005 local terms energy: -22.021788 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.619 flat angles P-C4'-P energy: -4.232 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: 5, replica: 9 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -32.143144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.143144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.143144 (E_RNA) where: Base-Base interactions energy: -6.687 where: short stacking energy: -6.687 Base-Backbone interact. energy: -0.001 local terms energy: -25.454938 where: bonds (distance) C4'-P energy: -5.272 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.762 flat angles P-C4'-P energy: -5.570 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: 6, replica: 6 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -32.319223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.319223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.319223 (E_RNA) where: Base-Base interactions energy: -7.581 where: short stacking energy: -7.581 Base-Backbone interact. energy: -0.111 local terms energy: -24.627413 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.391 flat angles P-C4'-P energy: -3.110 tors. eta vs tors. theta energy: -3.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -31.391067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.391067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.391067 (E_RNA) where: Base-Base interactions energy: -6.791 where: short stacking energy: -5.427 Base-Backbone interact. energy: -0.001 local terms energy: -24.598612 where: bonds (distance) C4'-P energy: -5.355 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -3.084 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: 8, replica: 8 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -31.483690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.483690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.483690 (E_RNA) where: Base-Base interactions energy: -6.300 where: short stacking energy: -6.300 Base-Backbone interact. energy: -0.009 local terms energy: -25.174664 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.008 flat angles P-C4'-P energy: -4.543 tors. eta vs tors. theta energy: -1.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -28.096279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.096279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.096279 (E_RNA) where: Base-Base interactions energy: -6.579 where: short stacking energy: -6.579 Base-Backbone interact. energy: -0.006 local terms energy: -21.510659 where: bonds (distance) C4'-P energy: -5.695 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -4.483 flat angles P-C4'-P energy: -0.852 tors. eta vs tors. theta energy: -3.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -26.450563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.450563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.450563 (E_RNA) where: Base-Base interactions energy: -7.240 where: short stacking energy: -7.240 Base-Backbone interact. energy: 0.069 local terms energy: -19.279177 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -1.765 flat angles C4'-P-C4' energy: -6.300 flat angles P-C4'-P energy: -3.412 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: 10 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -39.151971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.151971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.151971 (E_RNA) where: Base-Base interactions energy: -11.025 where: short stacking energy: -11.025 Base-Backbone interact. energy: -0.000 local terms energy: -28.127093 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -6.794 flat angles P-C4'-P energy: -3.397 tors. eta vs tors. theta energy: -3.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -39.315031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.315031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.315031 (E_RNA) where: Base-Base interactions energy: -14.441 where: short stacking energy: -14.441 Base-Backbone interact. energy: -0.001 local terms energy: -24.873062 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -4.328 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: 3, replica: 1 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -37.914042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.914042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.914042 (E_RNA) where: Base-Base interactions energy: -11.258 where: short stacking energy: -11.258 Base-Backbone interact. energy: -0.036 local terms energy: -26.620216 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.765 flat angles P-C4'-P energy: -5.627 tors. eta vs tors. theta energy: -2.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -35.116434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.116434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.116434 (E_RNA) where: Base-Base interactions energy: -10.075 where: short stacking energy: -10.075 Base-Backbone interact. energy: -0.059 local terms energy: -24.982757 where: bonds (distance) C4'-P energy: -4.846 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.081 flat angles P-C4'-P energy: -4.635 tors. eta vs tors. theta energy: -3.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -34.336768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.336768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.336768 (E_RNA) where: Base-Base interactions energy: -14.533 where: short stacking energy: -14.533 Base-Backbone interact. energy: 0.217 local terms energy: -20.020971 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -6.268 flat angles C4'-P-C4' energy: -3.339 flat angles P-C4'-P energy: -0.585 tors. eta vs tors. theta energy: -4.362 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: 2 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -31.511083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.511083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.511083 (E_RNA) where: Base-Base interactions energy: -7.437 where: short stacking energy: -7.436 Base-Backbone interact. energy: -0.001 local terms energy: -24.073163 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.526 flat angles P-C4'-P energy: -3.268 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: 6 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -31.416971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.416971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.416971 (E_RNA) where: Base-Base interactions energy: -6.902 where: short stacking energy: -6.902 Base-Backbone interact. energy: -0.036 local terms energy: -24.479021 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -4.349 flat angles P-C4'-P energy: -5.880 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: 8, replica: 7 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -32.629445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.629445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.629445 (E_RNA) where: Base-Base interactions energy: -8.179 where: short stacking energy: -8.179 Base-Backbone interact. energy: -0.044 local terms energy: -24.406755 where: bonds (distance) C4'-P energy: -5.318 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -7.183 flat angles P-C4'-P energy: -5.519 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: 9, replica: 8 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -32.156180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.156180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.156180 (E_RNA) where: Base-Base interactions energy: -9.039 where: short stacking energy: -9.039 Base-Backbone interact. energy: -0.002 local terms energy: -23.114949 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -0.936 flat angles P-C4'-P energy: -5.006 tors. eta vs tors. theta energy: -3.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -27.053245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.053245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.053245 (E_RNA) where: Base-Base interactions energy: -9.348 where: short stacking energy: -9.348 Base-Backbone interact. energy: -0.093 local terms energy: -17.612246 where: bonds (distance) C4'-P energy: -3.302 bonds (distance) P-C4' energy: -6.765 flat angles C4'-P-C4' energy: -4.753 flat angles P-C4'-P energy: -2.088 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: 1, replica: 10 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -38.752627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.752627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.752627 (E_RNA) where: Base-Base interactions energy: -12.249 where: short stacking energy: -12.249 Base-Backbone interact. energy: 0.394 local terms energy: -26.897597 where: bonds (distance) C4'-P energy: -6.229 bonds (distance) P-C4' energy: -7.253 flat angles C4'-P-C4' energy: -5.580 flat angles P-C4'-P energy: -4.936 tors. eta vs tors. theta energy: -2.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -40.910749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.910749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.910749 (E_RNA) where: Base-Base interactions energy: -13.667 where: short stacking energy: -13.797 Base-Backbone interact. energy: -0.845 local terms energy: -26.398860 where: bonds (distance) C4'-P energy: -5.715 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -3.729 flat angles P-C4'-P energy: -4.849 tors. eta vs tors. theta energy: -5.055 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: 4 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -40.445021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.445021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.445021 (E_RNA) where: Base-Base interactions energy: -13.996 where: short stacking energy: -14.069 Base-Backbone interact. energy: -0.002 local terms energy: -26.447137 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.130 flat angles P-C4'-P energy: -3.583 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: 4, replica: 1 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -33.036914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.036914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.036914 (E_RNA) where: Base-Base interactions energy: -3.583 where: short stacking energy: -3.583 Base-Backbone interact. energy: -0.000 local terms energy: -29.453031 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.606 flat angles P-C4'-P energy: -5.728 tors. eta vs tors. theta energy: -3.030 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: 462 Temperature: 1.100000 Total energy: -38.609816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.609816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.609816 (E_RNA) where: Base-Base interactions energy: -12.479 where: short stacking energy: -12.479 Base-Backbone interact. energy: -0.000 local terms energy: -26.130523 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.411 flat angles P-C4'-P energy: -4.311 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: 6, replica: 9 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -34.876749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.876749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.876749 (E_RNA) where: Base-Base interactions energy: -9.439 where: short stacking energy: -9.439 Base-Backbone interact. energy: -0.004 local terms energy: -25.433537 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.005 flat angles C4'-P-C4' energy: -7.207 flat angles P-C4'-P energy: -3.461 tors. eta vs tors. theta energy: -2.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -31.831056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.831056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.831056 (E_RNA) where: Base-Base interactions energy: -9.013 where: short stacking energy: -9.013 Base-Backbone interact. energy: -0.004 local terms energy: -22.813753 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -4.934 flat angles P-C4'-P energy: -4.927 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: 8, replica: 7 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -31.893125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.893125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.893125 (E_RNA) where: Base-Base interactions energy: -9.584 where: short stacking energy: -9.584 Base-Backbone interact. energy: -0.022 local terms energy: -22.287554 where: bonds (distance) C4'-P energy: -4.846 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.593 flat angles P-C4'-P energy: -3.783 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: 9, replica: 5 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -31.935252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.935252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.935252 (E_RNA) where: Base-Base interactions energy: -10.428 where: short stacking energy: -10.428 Base-Backbone interact. energy: -0.001 local terms energy: -21.506074 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.034 flat angles C4'-P-C4' energy: -6.730 flat angles P-C4'-P energy: -2.101 tors. eta vs tors. theta energy: 0.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -25.037668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.037668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.037668 (E_RNA) where: Base-Base interactions energy: -2.881 where: short stacking energy: -2.881 Base-Backbone interact. energy: -0.190 local terms energy: -21.967571 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -5.465 flat angles P-C4'-P energy: -4.827 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: 1, replica: 10 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -42.391860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.391860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.391860 (E_RNA) where: Base-Base interactions energy: -13.787 where: short stacking energy: -9.614 Base-Backbone interact. energy: -0.008 local terms energy: -28.596401 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.786 flat angles C4'-P-C4' energy: -6.271 flat angles P-C4'-P energy: -5.320 tors. eta vs tors. theta energy: -3.544 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: 4 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -42.724520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.724520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.724520 (E_RNA) where: Base-Base interactions energy: -14.399 where: short stacking energy: -14.399 Base-Backbone interact. energy: -0.043 local terms energy: -28.281994 where: bonds (distance) C4'-P energy: -6.924 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.932 flat angles P-C4'-P energy: -2.771 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: 3, replica: 3 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -34.523468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.523468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.523468 (E_RNA) where: Base-Base interactions energy: -9.791 where: short stacking energy: -9.791 Base-Backbone interact. energy: -0.000 local terms energy: -24.732176 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -3.025 flat angles P-C4'-P energy: -5.058 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: 4, replica: 2 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -37.181707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.181707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.181707 (E_RNA) where: Base-Base interactions energy: -11.914 where: short stacking energy: -11.914 Base-Backbone interact. energy: -0.100 local terms energy: -25.168080 where: bonds (distance) C4'-P energy: -6.838 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.635 flat angles P-C4'-P energy: -3.636 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: 5, replica: 1 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -37.464942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.464942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.464942 (E_RNA) where: Base-Base interactions energy: -12.360 where: short stacking energy: -12.149 Base-Backbone interact. energy: -0.013 local terms energy: -25.092038 where: bonds (distance) C4'-P energy: -5.272 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -7.188 flat angles P-C4'-P energy: -4.442 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: 6, replica: 6 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -35.903616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.903616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.903616 (E_RNA) where: Base-Base interactions energy: -10.625 where: short stacking energy: -10.625 Base-Backbone interact. energy: -0.004 local terms energy: -25.275250 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -2.501 tors. eta vs tors. theta energy: -3.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -30.251733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.251733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.251733 (E_RNA) where: Base-Base interactions energy: -6.544 where: short stacking energy: -6.544 Base-Backbone interact. energy: -0.004 local terms energy: -23.703391 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.562 flat angles P-C4'-P energy: -4.340 tors. eta vs tors. theta energy: 1.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -29.154504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.154504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.154504 (E_RNA) where: Base-Base interactions energy: -4.796 where: short stacking energy: -4.796 Base-Backbone interact. energy: -0.000 local terms energy: -24.358078 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -5.321 flat angles C4'-P-C4' energy: -5.713 flat angles P-C4'-P energy: -3.434 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: 9, replica: 7 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -26.471931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.471931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.471931 (E_RNA) where: Base-Base interactions energy: -7.267 where: short stacking energy: -7.267 Base-Backbone interact. energy: -0.138 local terms energy: -19.067444 where: bonds (distance) C4'-P energy: -5.281 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.506 flat angles P-C4'-P energy: -1.121 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: 10, replica: 8 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -30.615097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.615097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.615097 (E_RNA) where: Base-Base interactions energy: -6.344 where: short stacking energy: -6.253 Base-Backbone interact. energy: -0.001 local terms energy: -24.270189 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -4.066 flat angles P-C4'-P energy: -5.133 tors. eta vs tors. theta energy: -1.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -38.328866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.328866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.328866 (E_RNA) where: Base-Base interactions energy: -10.900 where: short stacking energy: -9.313 Base-Backbone interact. energy: -0.153 local terms energy: -27.275827 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.816 flat angles P-C4'-P energy: -6.147 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: 2, replica: 4 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -40.059619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.059619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.059619 (E_RNA) where: Base-Base interactions energy: -10.567 where: short stacking energy: -10.567 Base-Backbone interact. energy: -0.001 local terms energy: -29.491403 where: bonds (distance) C4'-P energy: -5.981 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -6.114 flat angles P-C4'-P energy: -4.017 tors. eta vs tors. theta energy: -5.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -35.215523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.215523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.215523 (E_RNA) where: Base-Base interactions energy: -12.356 where: short stacking energy: -12.356 Base-Backbone interact. energy: -0.017 local terms energy: -22.842922 where: bonds (distance) C4'-P energy: -5.247 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.020 flat angles P-C4'-P energy: -1.420 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: 4, replica: 3 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -31.582947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.582947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.582947 (E_RNA) where: Base-Base interactions energy: -4.722 where: short stacking energy: -3.289 Base-Backbone interact. energy: -0.004 local terms energy: -26.856976 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.829 flat angles P-C4'-P energy: -5.174 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: 5, replica: 6 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -34.193634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.193634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.193634 (E_RNA) where: Base-Base interactions energy: -9.105 where: short stacking energy: -9.105 Base-Backbone interact. energy: -0.692 local terms energy: -24.396309 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: -1.881 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: 1 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -33.988860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.988860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.988860 (E_RNA) where: Base-Base interactions energy: -7.634 where: short stacking energy: -7.634 Base-Backbone interact. energy: -0.019 local terms energy: -26.335650 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.459 flat angles P-C4'-P energy: -3.373 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: 7, replica: 5 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -32.881618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.881618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.881618 (E_RNA) where: Base-Base interactions energy: -5.381 where: short stacking energy: -5.381 Base-Backbone interact. energy: -0.003 local terms energy: -27.497170 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.559 flat angles P-C4'-P energy: -5.664 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: 8, replica: 9 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -29.393025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.393025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.393025 (E_RNA) where: Base-Base interactions energy: -7.165 where: short stacking energy: -7.165 Base-Backbone interact. energy: -0.024 local terms energy: -22.203911 where: bonds (distance) C4'-P energy: -5.619 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.501 flat angles P-C4'-P energy: -3.133 tors. eta vs tors. theta energy: 0.584 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: 464 Temperature: 1.300000 Total energy: -28.506013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.506013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.506013 (E_RNA) where: Base-Base interactions energy: -7.963 where: short stacking energy: -7.963 Base-Backbone interact. energy: -0.049 local terms energy: -20.494430 where: bonds (distance) C4'-P energy: -6.257 bonds (distance) P-C4' energy: -4.632 flat angles C4'-P-C4' energy: -1.337 flat angles P-C4'-P energy: -4.958 tors. eta vs tors. theta energy: -3.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -27.675400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.675400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.675400 (E_RNA) where: Base-Base interactions energy: -5.552 where: short stacking energy: -4.030 Base-Backbone interact. energy: -0.061 local terms energy: -22.061963 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -5.417 flat angles C4'-P-C4' energy: -6.391 flat angles P-C4'-P energy: -5.409 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: 1, replica: 10 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -37.539295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.539295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.539295 (E_RNA) where: Base-Base interactions energy: -11.378 where: short stacking energy: -11.378 Base-Backbone interact. energy: -0.254 local terms energy: -25.907282 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -6.817 flat angles P-C4'-P energy: -5.733 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: 2, replica: 2 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -38.876140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.876140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.876140 (E_RNA) where: Base-Base interactions energy: -8.472 where: short stacking energy: -8.472 Base-Backbone interact. energy: -0.002 local terms energy: -30.401885 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.979 flat angles P-C4'-P energy: -5.863 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: 4 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -37.405329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.405329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.405329 (E_RNA) where: Base-Base interactions energy: -10.273 where: short stacking energy: -10.273 Base-Backbone interact. energy: -0.001 local terms energy: -27.131235 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -6.075 flat angles C4'-P-C4' energy: -6.734 flat angles P-C4'-P energy: -5.113 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: 4, replica: 6 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -34.286984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.286984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.286984 (E_RNA) where: Base-Base interactions energy: -12.540 where: short stacking energy: -12.540 Base-Backbone interact. energy: -0.000 local terms energy: -21.746846 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -7.098 flat angles P-C4'-P energy: -3.048 tors. eta vs tors. theta energy: 1.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -34.375689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.375689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.375689 (E_RNA) where: Base-Base interactions energy: -10.376 where: short stacking energy: -10.376 Base-Backbone interact. energy: -0.000 local terms energy: -23.999592 where: bonds (distance) C4'-P energy: -6.257 bonds (distance) P-C4' energy: -5.749 flat angles C4'-P-C4' energy: -5.967 flat angles P-C4'-P energy: -2.569 tors. eta vs tors. theta energy: -3.458 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: 465 Temperature: 1.150000 Total energy: -33.730892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.730892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.730892 (E_RNA) where: Base-Base interactions energy: -7.309 where: short stacking energy: -7.309 Base-Backbone interact. energy: -0.191 local terms energy: -26.230761 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -5.772 flat angles C4'-P-C4' energy: -6.530 flat angles P-C4'-P energy: -2.812 tors. eta vs tors. theta energy: -4.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -32.100764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.100764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.100764 (E_RNA) where: Base-Base interactions energy: -7.655 where: short stacking energy: -7.655 Base-Backbone interact. energy: -0.002 local terms energy: -24.444652 where: bonds (distance) C4'-P energy: -5.248 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.977 flat angles P-C4'-P energy: -5.118 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: 8, replica: 7 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -31.229735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.229735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.229735 (E_RNA) where: Base-Base interactions energy: -13.455 where: short stacking energy: -11.537 Base-Backbone interact. energy: -0.002 local terms energy: -17.773044 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -0.256 flat angles P-C4'-P energy: -2.558 tors. eta vs tors. theta energy: -1.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -29.960501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.960501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.960501 (E_RNA) where: Base-Base interactions energy: -8.153 where: short stacking energy: -8.153 Base-Backbone interact. energy: -0.003 local terms energy: -21.804652 where: bonds (distance) C4'-P energy: -5.057 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -4.863 flat angles P-C4'-P energy: -2.922 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: 10, replica: 8 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -29.750396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.750396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.750396 (E_RNA) where: Base-Base interactions energy: -10.375 where: short stacking energy: -10.375 Base-Backbone interact. energy: -0.098 local terms energy: -19.277519 where: bonds (distance) C4'-P energy: -4.901 bonds (distance) P-C4' energy: -4.990 flat angles C4'-P-C4' energy: -5.027 flat angles P-C4'-P energy: -2.941 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: 1, replica: 2 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -39.363525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.363525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.363525 (E_RNA) where: Base-Base interactions energy: -11.837 where: short stacking energy: -11.837 Base-Backbone interact. energy: -0.000 local terms energy: -27.526649 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -7.450 flat angles P-C4'-P energy: -2.961 tors. eta vs tors. theta energy: -4.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -38.497402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.497402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.497402 (E_RNA) where: Base-Base interactions energy: -11.713 where: short stacking energy: -11.713 Base-Backbone interact. energy: -1.205 local terms energy: -25.579676 where: bonds (distance) C4'-P energy: -4.581 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.618 flat angles P-C4'-P energy: -4.547 tors. eta vs tors. theta energy: -3.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -36.997814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.997814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.997814 (E_RNA) where: Base-Base interactions energy: -16.094 where: short stacking energy: -16.094 Base-Backbone interact. energy: -0.000 local terms energy: -20.903649 where: bonds (distance) C4'-P energy: -4.349 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -3.386 flat angles P-C4'-P energy: -4.002 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: 4, replica: 4 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -36.229333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.229333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.229333 (E_RNA) where: Base-Base interactions energy: -12.924 where: short stacking energy: -12.924 Base-Backbone interact. energy: -0.043 local terms energy: -23.262716 where: bonds (distance) C4'-P energy: -3.864 bonds (distance) P-C4' energy: -6.752 flat angles C4'-P-C4' energy: -5.606 flat angles P-C4'-P energy: -3.827 tors. eta vs tors. theta energy: -3.213 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: 5 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -33.552461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.552461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.552461 (E_RNA) where: Base-Base interactions energy: -12.411 where: short stacking energy: -12.411 Base-Backbone interact. energy: -0.098 local terms energy: -21.043469 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.172 flat angles P-C4'-P energy: -2.989 tors. eta vs tors. theta energy: -1.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -32.403425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.403425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.403425 (E_RNA) where: Base-Base interactions energy: -11.113 where: short stacking energy: -11.113 Base-Backbone interact. energy: -0.009 local terms energy: -21.281979 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.547 flat angles P-C4'-P energy: -3.126 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: 7, replica: 7 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -34.407670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.407670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.407670 (E_RNA) where: Base-Base interactions energy: -6.251 where: short stacking energy: -5.363 Base-Backbone interact. energy: -0.138 local terms energy: -28.017956 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.435 flat angles P-C4'-P energy: -5.519 tors. eta vs tors. theta energy: -1.596 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: 466 Temperature: 1.250000 Total energy: -28.267456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.267456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.267456 (E_RNA) where: Base-Base interactions energy: -3.107 where: short stacking energy: -3.107 Base-Backbone interact. energy: -0.137 local terms energy: -25.024295 where: bonds (distance) C4'-P energy: -5.132 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -7.056 flat angles P-C4'-P energy: -4.968 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: 9, replica: 8 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -31.537654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.537654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.537654 (E_RNA) where: Base-Base interactions energy: -8.535 where: short stacking energy: -8.535 Base-Backbone interact. energy: -0.007 local terms energy: -22.995058 where: bonds (distance) C4'-P energy: -4.027 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.275 flat angles P-C4'-P energy: -4.097 tors. eta vs tors. theta energy: -1.798 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: 9 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -33.528944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.528944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.528944 (E_RNA) where: Base-Base interactions energy: -9.854 where: short stacking energy: -9.854 Base-Backbone interact. energy: -0.136 local terms energy: -23.539160 where: bonds (distance) C4'-P energy: -5.325 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.755 flat angles P-C4'-P energy: -2.118 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: 1, replica: 2 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -44.767073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.767073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.767073 (E_RNA) where: Base-Base interactions energy: -14.388 where: short stacking energy: -14.388 Base-Backbone interact. energy: -0.000 local terms energy: -30.379102 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.890 flat angles P-C4'-P energy: -4.792 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: 10 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -41.537874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.537874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.537874 (E_RNA) where: Base-Base interactions energy: -14.714 where: short stacking energy: -14.714 Base-Backbone interact. energy: -0.000 local terms energy: -26.823737 where: bonds (distance) C4'-P energy: -5.173 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.032 flat angles P-C4'-P energy: -4.559 tors. eta vs tors. theta energy: -3.951 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: 3, replica: 6 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -37.070896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.070896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.070896 (E_RNA) where: Base-Base interactions energy: -10.698 where: short stacking energy: -10.302 Base-Backbone interact. energy: -0.003 local terms energy: -26.369671 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.330 flat angles C4'-P-C4' energy: -5.080 flat angles P-C4'-P energy: -5.789 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: 4, replica: 4 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -35.370672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.370672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.370672 (E_RNA) where: Base-Base interactions energy: -9.073 where: short stacking energy: -9.073 Base-Backbone interact. energy: -0.040 local terms energy: -26.257462 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.532 flat angles P-C4'-P energy: -3.433 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: 5, replica: 5 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -28.832966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.832966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.832966 (E_RNA) where: Base-Base interactions energy: -7.086 where: short stacking energy: -7.086 Base-Backbone interact. energy: -0.007 local terms energy: -21.739644 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -5.038 flat angles C4'-P-C4' energy: -6.837 flat angles P-C4'-P energy: -4.296 tors. eta vs tors. theta energy: 1.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -35.968237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.968237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.968237 (E_RNA) where: Base-Base interactions energy: -11.559 where: short stacking energy: -7.524 Base-Backbone interact. energy: -1.054 local terms energy: -23.355235 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -5.939 flat angles C4'-P-C4' energy: -3.600 flat angles P-C4'-P energy: -3.455 tors. eta vs tors. theta energy: -4.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -28.116225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.116225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.116225 (E_RNA) where: Base-Base interactions energy: -4.609 where: short stacking energy: -4.609 Base-Backbone interact. energy: -0.062 local terms energy: -23.444983 where: bonds (distance) C4'-P energy: -4.768 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -6.254 flat angles P-C4'-P energy: -5.103 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: 8 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -26.890292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.890292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.890292 (E_RNA) where: Base-Base interactions energy: -3.463 where: short stacking energy: -3.463 Base-Backbone interact. energy: -0.079 local terms energy: -23.348235 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -3.518 flat angles P-C4'-P energy: -4.219 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: 9, replica: 1 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -28.505471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.505471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.505471 (E_RNA) where: Base-Base interactions energy: -7.150 where: short stacking energy: -7.150 Base-Backbone interact. energy: -0.062 local terms energy: -21.293292 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -5.294 flat angles P-C4'-P energy: -4.021 tors. eta vs tors. theta energy: 0.724 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: -27.540834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.540834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.540834 (E_RNA) where: Base-Base interactions energy: -6.056 where: short stacking energy: -6.256 Base-Backbone interact. energy: -0.705 local terms energy: -20.779921 where: bonds (distance) C4'-P energy: -5.318 bonds (distance) P-C4' energy: -4.694 flat angles C4'-P-C4' energy: -6.372 flat angles P-C4'-P energy: -4.422 tors. eta vs tors. theta energy: 0.026 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: 10 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -37.739075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.739075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.739075 (E_RNA) where: Base-Base interactions energy: -9.188 where: short stacking energy: -9.188 Base-Backbone interact. energy: -0.016 local terms energy: -28.534555 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -6.904 flat angles P-C4'-P energy: -4.462 tors. eta vs tors. theta energy: -5.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -41.470536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.470536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.470536 (E_RNA) where: Base-Base interactions energy: -16.232 where: short stacking energy: -16.232 Base-Backbone interact. energy: -0.001 local terms energy: -25.237727 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.374 flat angles P-C4'-P energy: -2.677 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: 3, replica: 4 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -34.362515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.362515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.362515 (E_RNA) where: Base-Base interactions energy: -8.341 where: short stacking energy: -8.341 Base-Backbone interact. energy: -0.050 local terms energy: -25.970889 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -6.439 flat angles P-C4'-P energy: -2.057 tors. eta vs tors. theta energy: -4.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -35.552170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.552170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.552170 (E_RNA) where: Base-Base interactions energy: -10.315 where: short stacking energy: -10.315 Base-Backbone interact. energy: -0.000 local terms energy: -25.237468 where: bonds (distance) C4'-P energy: -3.841 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -5.970 flat angles P-C4'-P energy: -5.022 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: 5, replica: 7 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -33.127894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.127894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.127894 (E_RNA) where: Base-Base interactions energy: -9.870 where: short stacking energy: -7.446 Base-Backbone interact. energy: -0.000 local terms energy: -23.257659 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -5.794 flat angles P-C4'-P energy: -5.122 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: 6, replica: 5 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -31.938749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.938749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.938749 (E_RNA) where: Base-Base interactions energy: -8.503 where: short stacking energy: -8.503 Base-Backbone interact. energy: -0.197 local terms energy: -23.238840 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -6.710 flat angles P-C4'-P energy: -2.508 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: 7, replica: 8 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -30.233183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.233183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.233183 (E_RNA) where: Base-Base interactions energy: -7.710 where: short stacking energy: -7.710 Base-Backbone interact. energy: -0.009 local terms energy: -22.515020 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -4.930 flat angles P-C4'-P energy: -3.679 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: 8, replica: 3 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -30.126860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.126860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.126860 (E_RNA) where: Base-Base interactions energy: -4.591 where: short stacking energy: -4.591 Base-Backbone interact. energy: -0.009 local terms energy: -25.526736 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -3.473 tors. eta vs tors. theta energy: -3.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -30.726438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.726438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.726438 (E_RNA) where: Base-Base interactions energy: -7.408 where: short stacking energy: -7.408 Base-Backbone interact. energy: -0.061 local terms energy: -23.257384 where: bonds (distance) C4'-P energy: -3.997 bonds (distance) P-C4' energy: -5.407 flat angles C4'-P-C4' energy: -5.599 flat angles P-C4'-P energy: -6.373 tors. eta vs tors. theta energy: -1.882 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: 1 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -26.441985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.441985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.441985 (E_RNA) where: Base-Base interactions energy: -2.893 where: short stacking energy: -2.893 Base-Backbone interact. energy: -0.041 local terms energy: -23.508514 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -5.733 flat angles P-C4'-P energy: -3.726 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: 1, replica: 10 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -44.178788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.178788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.178788 (E_RNA) where: Base-Base interactions energy: -15.294 where: short stacking energy: -15.294 Base-Backbone interact. energy: -0.000 local terms energy: -28.884876 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.880 flat angles P-C4'-P energy: -5.036 tors. eta vs tors. theta energy: -7.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -29.873288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.873288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.873288 (E_RNA) where: Base-Base interactions energy: -7.061 where: short stacking energy: -7.061 Base-Backbone interact. energy: -0.150 local terms energy: -22.662814 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.179 flat angles P-C4'-P energy: -4.310 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: 3, replica: 2 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -43.356775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.356775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.356775 (E_RNA) where: Base-Base interactions energy: -14.147 where: short stacking energy: -14.147 Base-Backbone interact. energy: -0.000 local terms energy: -29.209175 where: bonds (distance) C4'-P energy: -5.968 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -6.483 flat angles P-C4'-P energy: -5.167 tors. eta vs tors. theta energy: -4.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -32.649238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.649238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.649238 (E_RNA) where: Base-Base interactions energy: -10.073 where: short stacking energy: -10.073 Base-Backbone interact. energy: -0.006 local terms energy: -22.569863 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -5.442 flat angles P-C4'-P energy: -2.954 tors. eta vs tors. theta energy: -1.584 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: 6 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -32.067170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.067170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.067170 (E_RNA) where: Base-Base interactions energy: -7.914 where: short stacking energy: -7.914 Base-Backbone interact. energy: -0.012 local terms energy: -24.141627 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -5.464 flat angles P-C4'-P energy: -4.157 tors. eta vs tors. theta energy: -3.154 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: 8 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -35.206119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.206119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.206119 (E_RNA) where: Base-Base interactions energy: -6.185 where: short stacking energy: -6.185 Base-Backbone interact. energy: -0.000 local terms energy: -29.021290 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -3.854 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: 7, replica: 5 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -31.121423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.121423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.121423 (E_RNA) where: Base-Base interactions energy: -12.222 where: short stacking energy: -12.222 Base-Backbone interact. energy: -0.020 local terms energy: -18.880165 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.589 flat angles P-C4'-P energy: -2.087 tors. eta vs tors. theta energy: -0.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -28.486583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.486583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.486583 (E_RNA) where: Base-Base interactions energy: -2.702 where: short stacking energy: -1.740 Base-Backbone interact. energy: -0.203 local terms energy: -25.581736 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -5.967 flat angles C4'-P-C4' energy: -6.975 flat angles P-C4'-P energy: -5.261 tors. eta vs tors. theta energy: -0.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -33.225273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.225273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.225273 (E_RNA) where: Base-Base interactions energy: -10.871 where: short stacking energy: -10.871 Base-Backbone interact. energy: -0.003 local terms energy: -22.350924 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -4.354 flat angles P-C4'-P energy: -2.898 tors. eta vs tors. theta energy: -2.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -28.560530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.560530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.560530 (E_RNA) where: Base-Base interactions energy: -7.115 where: short stacking energy: -6.114 Base-Backbone interact. energy: -0.033 local terms energy: -21.412844 where: bonds (distance) C4'-P energy: -4.921 bonds (distance) P-C4' energy: -5.038 flat angles C4'-P-C4' energy: -6.408 flat angles P-C4'-P energy: -4.980 tors. eta vs tors. theta energy: -0.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -39.688256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.688256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.688256 (E_RNA) where: Base-Base interactions energy: -11.533 where: short stacking energy: -11.533 Base-Backbone interact. energy: -0.000 local terms energy: -28.155330 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.047 flat angles C4'-P-C4' energy: -5.461 flat angles P-C4'-P energy: -5.218 tors. eta vs tors. theta energy: -4.738 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: 10 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -41.257858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.257858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.257858 (E_RNA) where: Base-Base interactions energy: -15.186 where: short stacking energy: -15.186 Base-Backbone interact. energy: -0.001 local terms energy: -26.070571 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.100 flat angles P-C4'-P energy: -3.041 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: 3, replica: 7 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -34.269863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.269863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.269863 (E_RNA) where: Base-Base interactions energy: -5.515 where: short stacking energy: -5.515 Base-Backbone interact. energy: -0.017 local terms energy: -28.737759 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.770 flat angles P-C4'-P energy: -6.526 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: 4, replica: 2 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -34.657294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.657294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.657294 (E_RNA) where: Base-Base interactions energy: -7.591 where: short stacking energy: -7.591 Base-Backbone interact. energy: -0.000 local terms energy: -27.065825 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -4.788 flat angles P-C4'-P energy: -3.714 tors. eta vs tors. theta energy: -4.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -31.522905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.522905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.522905 (E_RNA) where: Base-Base interactions energy: -8.016 where: short stacking energy: -8.016 Base-Backbone interact. energy: -0.001 local terms energy: -23.505873 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -5.475 flat angles P-C4'-P energy: -4.092 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: 6 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -31.878319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.878319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.878319 (E_RNA) where: Base-Base interactions energy: -6.940 where: short stacking energy: -6.940 Base-Backbone interact. energy: -0.418 local terms energy: -24.520939 where: bonds (distance) C4'-P energy: -5.124 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.852 flat angles P-C4'-P energy: -5.290 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: 7, replica: 9 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -31.868182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.868182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.868182 (E_RNA) where: Base-Base interactions energy: -9.926 where: short stacking energy: -9.926 Base-Backbone interact. energy: -0.061 local terms energy: -21.881013 where: bonds (distance) C4'-P energy: -3.790 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.171 flat angles P-C4'-P energy: -3.087 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: 8, replica: 5 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -29.528144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.528144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.528144 (E_RNA) where: Base-Base interactions energy: -6.248 where: short stacking energy: -6.248 Base-Backbone interact. energy: -0.030 local terms energy: -23.250107 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.102 flat angles P-C4'-P energy: -3.438 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: 9, replica: 1 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -34.698211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.698211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.698211 (E_RNA) where: Base-Base interactions energy: -9.753 where: short stacking energy: -9.753 Base-Backbone interact. energy: -0.001 local terms energy: -24.944104 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -4.897 flat angles P-C4'-P energy: -4.358 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: 10, replica: 3 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -27.707681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.707681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.707681 (E_RNA) where: Base-Base interactions energy: -1.322 where: short stacking energy: -1.322 Base-Backbone interact. energy: -0.004 local terms energy: -26.381517 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -5.182 flat angles P-C4'-P energy: -5.870 tors. eta vs tors. theta energy: -1.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -38.840656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.840656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.840656 (E_RNA) where: Base-Base interactions energy: -12.104 where: short stacking energy: -12.104 Base-Backbone interact. energy: -1.460 local terms energy: -25.276998 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.800 flat angles P-C4'-P energy: -1.843 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: 2, replica: 7 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -30.637972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.637972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.637972 (E_RNA) where: Base-Base interactions energy: -7.132 where: short stacking energy: -5.830 Base-Backbone interact. energy: -1.138 local terms energy: -22.368077 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.235 flat angles P-C4'-P energy: -4.250 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: 3, replica: 10 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -35.026701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.026701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.026701 (E_RNA) where: Base-Base interactions energy: -5.177 where: short stacking energy: -5.177 Base-Backbone interact. energy: -0.002 local terms energy: -29.847748 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.447 flat angles P-C4'-P energy: -5.203 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: 4, replica: 8 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -31.686238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.686238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.686238 (E_RNA) where: Base-Base interactions energy: -6.751 where: short stacking energy: -6.751 Base-Backbone interact. energy: -0.020 local terms energy: -24.915196 where: bonds (distance) C4'-P energy: -6.953 bonds (distance) P-C4' energy: -4.906 flat angles C4'-P-C4' energy: -6.479 flat angles P-C4'-P energy: -5.540 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: 2 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -32.352823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.352823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.352823 (E_RNA) where: Base-Base interactions energy: -7.851 where: short stacking energy: -7.851 Base-Backbone interact. energy: -0.892 local terms energy: -23.609396 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -4.157 flat angles C4'-P-C4' energy: -5.913 flat angles P-C4'-P energy: -5.216 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: 6, replica: 6 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -33.657356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.657356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.657356 (E_RNA) where: Base-Base interactions energy: -10.778 where: short stacking energy: -10.778 Base-Backbone interact. energy: -0.003 local terms energy: -22.875868 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.565 flat angles P-C4'-P energy: -3.302 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: 9 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -28.302732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.302732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.302732 (E_RNA) where: Base-Base interactions energy: -3.879 where: short stacking energy: -3.390 Base-Backbone interact. energy: -0.086 local terms energy: -24.337625 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -4.032 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -6.565 tors. eta vs tors. theta energy: -0.820 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: 1 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -30.245092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.245092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.245092 (E_RNA) where: Base-Base interactions energy: -8.308 where: short stacking energy: -8.308 Base-Backbone interact. energy: -0.002 local terms energy: -21.935627 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.671 flat angles P-C4'-P energy: -3.737 tors. eta vs tors. theta energy: -1.408 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: 5 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -26.392879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.392879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.392879 (E_RNA) where: Base-Base interactions energy: -2.163 where: short stacking energy: -2.163 Base-Backbone interact. energy: -0.051 local terms energy: -24.179537 where: bonds (distance) C4'-P energy: -7.011 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -3.732 flat angles P-C4'-P energy: -3.805 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: 10, replica: 3 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -26.812308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.812308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.812308 (E_RNA) where: Base-Base interactions energy: -6.659 where: short stacking energy: -6.659 Base-Backbone interact. energy: -0.164 local terms energy: -19.989351 where: bonds (distance) C4'-P energy: -4.883 bonds (distance) P-C4' energy: -6.995 flat angles C4'-P-C4' energy: -5.996 flat angles P-C4'-P energy: -4.676 tors. eta vs tors. theta energy: 2.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -40.070076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.070076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.070076 (E_RNA) where: Base-Base interactions energy: -11.262 where: short stacking energy: -11.262 Base-Backbone interact. energy: -0.008 local terms energy: -28.800451 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -7.647 flat angles P-C4'-P energy: -5.561 tors. eta vs tors. theta energy: -3.521 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: 4 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -38.175134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.175134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.175134 (E_RNA) where: Base-Base interactions energy: -13.576 where: short stacking energy: -11.143 Base-Backbone interact. energy: -0.280 local terms energy: -24.319419 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.811 flat angles P-C4'-P energy: -4.100 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: 8 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -43.766032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.766032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.766032 (E_RNA) where: Base-Base interactions energy: -15.591 where: short stacking energy: -15.591 Base-Backbone interact. energy: -0.029 local terms energy: -28.145741 where: bonds (distance) C4'-P energy: -4.870 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -7.092 flat angles P-C4'-P energy: -5.030 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: 4, replica: 10 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -34.517631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.517631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.517631 (E_RNA) where: Base-Base interactions energy: -6.988 where: short stacking energy: -6.988 Base-Backbone interact. energy: -0.000 local terms energy: -27.529788 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -5.852 flat angles P-C4'-P energy: -4.352 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: 5, replica: 6 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -34.269792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.269792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.269792 (E_RNA) where: Base-Base interactions energy: -5.979 where: short stacking energy: -5.979 Base-Backbone interact. energy: -0.003 local terms energy: -28.288112 where: bonds (distance) C4'-P energy: -7.002 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -7.552 flat angles P-C4'-P energy: -5.139 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: 6, replica: 2 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -29.874303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.874303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.874303 (E_RNA) where: Base-Base interactions energy: -7.167 where: short stacking energy: -7.167 Base-Backbone interact. energy: -0.177 local terms energy: -22.529999 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -3.745 flat angles P-C4'-P energy: -2.910 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: 7, replica: 1 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -32.541211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.541211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.541211 (E_RNA) where: Base-Base interactions energy: -9.381 where: short stacking energy: -9.381 Base-Backbone interact. energy: -0.033 local terms energy: -23.127430 where: bonds (distance) C4'-P energy: -6.878 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.184 flat angles P-C4'-P energy: -0.916 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: 8, replica: 9 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -35.231744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.231744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.231744 (E_RNA) where: Base-Base interactions energy: -8.561 where: short stacking energy: -8.561 Base-Backbone interact. energy: -0.078 local terms energy: -26.592436 where: bonds (distance) C4'-P energy: -5.132 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.593 flat angles P-C4'-P energy: -4.696 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: 9, replica: 3 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -28.992129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.992129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.992129 (E_RNA) where: Base-Base interactions energy: -4.258 where: short stacking energy: -4.329 Base-Backbone interact. energy: -0.003 local terms energy: -24.731689 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.487 flat angles P-C4'-P energy: -4.129 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: 5 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -28.157763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.157763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.157763 (E_RNA) where: Base-Base interactions energy: -6.415 where: short stacking energy: -6.415 Base-Backbone interact. energy: 0.295 local terms energy: -22.038034 where: bonds (distance) C4'-P energy: -3.641 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.932 flat angles P-C4'-P energy: -4.364 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: 1, replica: 7 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -38.746022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.746022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.746022 (E_RNA) where: Base-Base interactions energy: -11.325 where: short stacking energy: -11.325 Base-Backbone interact. energy: -0.002 local terms energy: -27.419277 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -7.661 flat angles P-C4'-P energy: -3.323 tors. eta vs tors. theta energy: -3.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -41.000905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.000905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.000905 (E_RNA) where: Base-Base interactions energy: -15.211 where: short stacking energy: -15.211 Base-Backbone interact. energy: -0.043 local terms energy: -25.747346 where: bonds (distance) C4'-P energy: -5.359 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -2.516 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: 3, replica: 4 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -37.525219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.525219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.525219 (E_RNA) where: Base-Base interactions energy: -11.864 where: short stacking energy: -10.977 Base-Backbone interact. energy: -0.000 local terms energy: -25.660699 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.058 flat angles P-C4'-P energy: -3.253 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: 4, replica: 6 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -31.171020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.171020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.171020 (E_RNA) where: Base-Base interactions energy: -7.912 where: short stacking energy: -7.912 Base-Backbone interact. energy: -0.000 local terms energy: -23.258922 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -3.902 flat angles P-C4'-P energy: -2.684 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: 5, replica: 10 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -35.556584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.556584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.556584 (E_RNA) where: Base-Base interactions energy: -12.371 where: short stacking energy: -11.997 Base-Backbone interact. energy: -0.007 local terms energy: -23.177933 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: -2.420 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: 6, replica: 2 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -34.595163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.595163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.595163 (E_RNA) where: Base-Base interactions energy: -11.066 where: short stacking energy: -11.066 Base-Backbone interact. energy: -0.007 local terms energy: -23.521488 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -6.474 flat angles C4'-P-C4' energy: -4.649 flat angles P-C4'-P energy: -5.343 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: 7, replica: 1 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -31.983582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.983582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.983582 (E_RNA) where: Base-Base interactions energy: -7.108 where: short stacking energy: -7.108 Base-Backbone interact. energy: -0.000 local terms energy: -24.875185 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -6.160 flat angles P-C4'-P energy: -5.476 tors. eta vs tors. theta energy: -1.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -30.953623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.953623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.953623 (E_RNA) where: Base-Base interactions energy: -7.388 where: short stacking energy: -7.388 Base-Backbone interact. energy: -0.026 local terms energy: -23.539095 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.784 flat angles P-C4'-P energy: -5.538 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: 3 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -25.280078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.280078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.280078 (E_RNA) where: Base-Base interactions energy: -3.852 where: short stacking energy: -3.852 Base-Backbone interact. energy: -0.093 local terms energy: -21.335077 where: bonds (distance) C4'-P energy: -5.247 bonds (distance) P-C4' energy: -6.600 flat angles C4'-P-C4' energy: -5.864 flat angles P-C4'-P energy: -2.757 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: 10, replica: 5 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -28.648743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.648743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.648743 (E_RNA) where: Base-Base interactions energy: -10.399 where: short stacking energy: -10.399 Base-Backbone interact. energy: 3.380 local terms energy: -21.629493 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.394 flat angles P-C4'-P energy: -2.110 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: 1, replica: 7 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -42.595012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.595012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.595012 (E_RNA) where: Base-Base interactions energy: -13.989 where: short stacking energy: -13.989 Base-Backbone interact. energy: -0.276 local terms energy: -28.330166 where: bonds (distance) C4'-P energy: -6.188 bonds (distance) P-C4' energy: -6.814 flat angles C4'-P-C4' energy: -6.624 flat angles P-C4'-P energy: -4.066 tors. eta vs tors. theta energy: -4.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -36.471057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.471057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.471057 (E_RNA) where: Base-Base interactions energy: -12.003 where: short stacking energy: -12.003 Base-Backbone interact. energy: -0.237 local terms energy: -24.230735 where: bonds (distance) C4'-P energy: -3.621 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -3.977 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: 3, replica: 6 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -34.763643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.763643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.763643 (E_RNA) where: Base-Base interactions energy: -11.416 where: short stacking energy: -11.416 Base-Backbone interact. energy: -0.073 local terms energy: -23.274363 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -4.172 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: 4, replica: 4 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -33.028231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.028231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.028231 (E_RNA) where: Base-Base interactions energy: -8.646 where: short stacking energy: -8.646 Base-Backbone interact. energy: -0.000 local terms energy: -24.381946 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -3.656 flat angles P-C4'-P energy: -5.562 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: 5, replica: 2 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -32.834423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.834423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.834423 (E_RNA) where: Base-Base interactions energy: -10.539 where: short stacking energy: -10.539 Base-Backbone interact. energy: -0.055 local terms energy: -22.240834 where: bonds (distance) C4'-P energy: -5.715 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.414 flat angles P-C4'-P energy: -2.332 tors. eta vs tors. theta energy: -0.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -40.154619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.154619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.154619 (E_RNA) where: Base-Base interactions energy: -13.589 where: short stacking energy: -13.589 Base-Backbone interact. energy: -0.001 local terms energy: -26.564258 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -4.373 flat angles C4'-P-C4' energy: -7.254 flat angles P-C4'-P energy: -2.560 tors. eta vs tors. theta energy: -6.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -29.712112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.712112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.712112 (E_RNA) where: Base-Base interactions energy: -7.851 where: short stacking energy: -7.222 Base-Backbone interact. energy: -0.029 local terms energy: -21.831952 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.866 flat angles P-C4'-P energy: -4.589 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: 8, replica: 9 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -33.962067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.962067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.962067 (E_RNA) where: Base-Base interactions energy: -9.872 where: short stacking energy: -9.872 Base-Backbone interact. energy: -0.089 local terms energy: -24.000772 where: bonds (distance) C4'-P energy: -5.555 bonds (distance) P-C4' energy: -5.087 flat angles C4'-P-C4' energy: -6.090 flat angles P-C4'-P energy: -4.193 tors. eta vs tors. theta energy: -3.076 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: 5 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -27.645311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.645311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.645311 (E_RNA) where: Base-Base interactions energy: -6.089 where: short stacking energy: -6.089 Base-Backbone interact. energy: -0.022 local terms energy: -21.534227 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -6.241 flat angles C4'-P-C4' energy: -5.862 flat angles P-C4'-P energy: -2.402 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: 10, replica: 3 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -32.257745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.257745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.257745 (E_RNA) where: Base-Base interactions energy: -9.082 where: short stacking energy: -9.082 Base-Backbone interact. energy: -0.000 local terms energy: -23.176067 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -2.021 flat angles P-C4'-P energy: -4.283 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: 1, replica: 7 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -44.269849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.269849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.269849 (E_RNA) where: Base-Base interactions energy: -14.580 where: short stacking energy: -14.580 Base-Backbone interact. energy: -0.019 local terms energy: -29.671182 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.255 flat angles P-C4'-P energy: -3.923 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: 6 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -36.868588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.868588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.868588 (E_RNA) where: Base-Base interactions energy: -10.269 where: short stacking energy: -10.269 Base-Backbone interact. energy: -0.017 local terms energy: -26.582131 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -6.185 flat angles P-C4'-P energy: -4.796 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: 3, replica: 8 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -42.261877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.261877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.261877 (E_RNA) where: Base-Base interactions energy: -14.979 where: short stacking energy: -14.979 Base-Backbone interact. energy: -0.453 local terms energy: -26.829922 where: bonds (distance) C4'-P energy: -6.845 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -3.877 flat angles P-C4'-P energy: -3.944 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: 4, replica: 2 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -35.434104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.434104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.434104 (E_RNA) where: Base-Base interactions energy: -10.933 where: short stacking energy: -10.933 Base-Backbone interact. energy: -0.067 local terms energy: -24.433461 where: bonds (distance) C4'-P energy: -5.707 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -6.699 flat angles P-C4'-P energy: -4.079 tors. eta vs tors. theta energy: -1.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -31.146521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.146521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.146521 (E_RNA) where: Base-Base interactions energy: -7.823 where: short stacking energy: -7.823 Base-Backbone interact. energy: -0.009 local terms energy: -23.314127 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -6.644 flat angles P-C4'-P energy: -4.695 tors. eta vs tors. theta energy: 1.449 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: 1 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -33.864492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.864492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.864492 (E_RNA) where: Base-Base interactions energy: -11.885 where: short stacking energy: -11.885 Base-Backbone interact. energy: -0.142 local terms energy: -21.837700 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -5.538 flat angles C4'-P-C4' energy: -4.915 flat angles P-C4'-P energy: -3.927 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: 7, replica: 10 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -28.079366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.079366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.079366 (E_RNA) where: Base-Base interactions energy: -6.519 where: short stacking energy: -6.519 Base-Backbone interact. energy: 0.666 local terms energy: -22.226871 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.787 flat angles C4'-P-C4' energy: -1.061 flat angles P-C4'-P energy: -4.675 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: 8, replica: 5 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -29.947184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.947184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.947184 (E_RNA) where: Base-Base interactions energy: -3.576 where: short stacking energy: -3.576 Base-Backbone interact. energy: -0.002 local terms energy: -26.369265 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -6.040 flat angles P-C4'-P energy: -4.637 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: 9, replica: 9 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -28.503845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.503845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.503845 (E_RNA) where: Base-Base interactions energy: -7.488 where: short stacking energy: -7.488 Base-Backbone interact. energy: -0.000 local terms energy: -21.015430 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -6.823 flat angles C4'-P-C4' energy: -4.297 flat angles P-C4'-P energy: -3.096 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: 10, replica: 3 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -27.514627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.514627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.514627 (E_RNA) where: Base-Base interactions energy: -3.429 where: short stacking energy: -3.429 Base-Backbone interact. energy: -0.144 local terms energy: -23.942396 where: bonds (distance) C4'-P energy: -5.785 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.897 flat angles P-C4'-P energy: -5.369 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: 1, replica: 6 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -40.953905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.953905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.953905 (E_RNA) where: Base-Base interactions energy: -13.053 where: short stacking energy: -13.053 Base-Backbone interact. energy: -0.100 local terms energy: -27.800375 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.942 flat angles P-C4'-P energy: -4.144 tors. eta vs tors. theta energy: -3.334 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: 2, replica: 7 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -35.800546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.800546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.800546 (E_RNA) where: Base-Base interactions energy: -10.615 where: short stacking energy: -10.615 Base-Backbone interact. energy: -0.014 local terms energy: -25.172011 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.260 flat angles P-C4'-P energy: -3.089 tors. eta vs tors. theta energy: -2.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -37.492092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.492092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.492092 (E_RNA) where: Base-Base interactions energy: -12.912 where: short stacking energy: -12.912 Base-Backbone interact. energy: -0.001 local terms energy: -24.579363 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -3.017 flat angles P-C4'-P energy: -5.958 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: 4, replica: 8 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -32.907511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.907511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.907511 (E_RNA) where: Base-Base interactions energy: -7.207 where: short stacking energy: -7.207 Base-Backbone interact. energy: -1.108 local terms energy: -24.591907 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -6.975 flat angles P-C4'-P energy: -4.439 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: 5, replica: 1 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -32.284599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.284599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.284599 (E_RNA) where: Base-Base interactions energy: -9.104 where: short stacking energy: -9.104 Base-Backbone interact. energy: -0.047 local terms energy: -23.133666 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -2.706 flat angles P-C4'-P energy: -5.222 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: 6, replica: 4 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -31.829172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.829172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.829172 (E_RNA) where: Base-Base interactions energy: -9.721 where: short stacking energy: -9.721 Base-Backbone interact. energy: 0.277 local terms energy: -22.385433 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.603 flat angles C4'-P-C4' energy: -2.464 flat angles P-C4'-P energy: -3.663 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: 7, replica: 5 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -29.204585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.204585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.204585 (E_RNA) where: Base-Base interactions energy: -7.285 where: short stacking energy: -7.285 Base-Backbone interact. energy: -0.031 local terms energy: -21.888884 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -6.464 flat angles P-C4'-P energy: -3.386 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: 8, replica: 10 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -31.260758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.260758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.260758 (E_RNA) where: Base-Base interactions energy: -5.395 where: short stacking energy: -5.395 Base-Backbone interact. energy: -0.001 local terms energy: -25.864175 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -6.718 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -5.591 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: 9, replica: 3 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -27.271592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.271592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.271592 (E_RNA) where: Base-Base interactions energy: -9.082 where: short stacking energy: -8.268 Base-Backbone interact. energy: -0.162 local terms energy: -18.027452 where: bonds (distance) C4'-P energy: -5.359 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -5.063 flat angles P-C4'-P energy: -4.028 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: 10, replica: 9 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -30.243399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.243399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.243399 (E_RNA) where: Base-Base interactions energy: -6.912 where: short stacking energy: -6.912 Base-Backbone interact. energy: -0.003 local terms energy: -23.327878 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -4.831 flat angles P-C4'-P energy: -4.897 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: 1, replica: 6 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -38.915541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.915541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.915541 (E_RNA) where: Base-Base interactions energy: -14.503 where: short stacking energy: -14.503 Base-Backbone interact. energy: 0.021 local terms energy: -24.433744 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.738 flat angles C4'-P-C4' energy: -5.161 flat angles P-C4'-P energy: -4.873 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: 2, replica: 2 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -43.546383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.546383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.546383 (E_RNA) where: Base-Base interactions energy: -14.684 where: short stacking energy: -14.684 Base-Backbone interact. energy: -0.000 local terms energy: -28.862571 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -7.172 flat angles P-C4'-P energy: -4.845 tors. eta vs tors. theta energy: -4.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -34.600934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.600934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.600934 (E_RNA) where: Base-Base interactions energy: -11.162 where: short stacking energy: -11.262 Base-Backbone interact. energy: -0.205 local terms energy: -23.234706 where: bonds (distance) C4'-P energy: -4.659 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -3.883 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: 4, replica: 1 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -33.811780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.811780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.811780 (E_RNA) where: Base-Base interactions energy: -7.801 where: short stacking energy: -7.801 Base-Backbone interact. energy: -0.000 local terms energy: -26.010428 where: bonds (distance) C4'-P energy: -4.775 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -7.248 flat angles P-C4'-P energy: -4.390 tors. eta vs tors. theta energy: -2.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -33.689237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.689237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.689237 (E_RNA) where: Base-Base interactions energy: -12.019 where: short stacking energy: -12.019 Base-Backbone interact. energy: -0.030 local terms energy: -21.640597 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -5.096 flat angles P-C4'-P energy: -3.698 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: 5 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -34.874585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.874585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.874585 (E_RNA) where: Base-Base interactions energy: -12.663 where: short stacking energy: -11.971 Base-Backbone interact. energy: -0.211 local terms energy: -22.000113 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -3.593 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: 7, replica: 4 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -30.086089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.086089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.086089 (E_RNA) where: Base-Base interactions energy: -6.466 where: short stacking energy: -6.466 Base-Backbone interact. energy: -0.094 local terms energy: -23.526261 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.069 flat angles C4'-P-C4' energy: -4.211 flat angles P-C4'-P energy: -3.105 tors. eta vs tors. theta energy: -3.760 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: 3 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -31.426578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.426578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.426578 (E_RNA) where: Base-Base interactions energy: -9.322 where: short stacking energy: -9.322 Base-Backbone interact. energy: -0.022 local terms energy: -22.082500 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -5.185 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -4.123 tors. eta vs tors. theta energy: -1.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -33.002394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.002394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.002394 (E_RNA) where: Base-Base interactions energy: -7.779 where: short stacking energy: -7.779 Base-Backbone interact. energy: -0.002 local terms energy: -25.220775 where: bonds (distance) C4'-P energy: -6.688 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -3.507 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: 10, replica: 9 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -32.283651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.283651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.283651 (E_RNA) where: Base-Base interactions energy: -6.320 where: short stacking energy: -6.320 Base-Backbone interact. energy: -0.004 local terms energy: -25.959913 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.512 flat angles P-C4'-P energy: -5.773 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: 1, replica: 2 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -42.512824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.512824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.512824 (E_RNA) where: Base-Base interactions energy: -12.092 where: short stacking energy: -12.092 Base-Backbone interact. energy: -0.000 local terms energy: -30.420776 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -6.853 flat angles P-C4'-P energy: -4.781 tors. eta vs tors. theta energy: -4.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -39.368646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.368646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.368646 (E_RNA) where: Base-Base interactions energy: -10.537 where: short stacking energy: -10.537 Base-Backbone interact. energy: -0.028 local terms energy: -28.803924 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -6.937 flat angles P-C4'-P energy: -6.192 tors. eta vs tors. theta energy: -1.553 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: 1 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -39.281420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.281420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.281420 (E_RNA) where: Base-Base interactions energy: -12.460 where: short stacking energy: -12.460 Base-Backbone interact. energy: -0.000 local terms energy: -26.820623 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -7.004 flat angles P-C4'-P energy: -4.549 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: 4, replica: 7 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -33.683941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.683941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.683941 (E_RNA) where: Base-Base interactions energy: -7.586 where: short stacking energy: -7.244 Base-Backbone interact. energy: -0.038 local terms energy: -26.059991 where: bonds (distance) C4'-P energy: -5.566 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -7.015 flat angles P-C4'-P energy: -5.449 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: 5, replica: 8 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -36.197289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.197289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.197289 (E_RNA) where: Base-Base interactions energy: -13.605 where: short stacking energy: -14.605 Base-Backbone interact. energy: -0.030 local terms energy: -22.562318 where: bonds (distance) C4'-P energy: -2.842 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -6.247 flat angles P-C4'-P energy: -4.587 tors. eta vs tors. theta energy: -3.078 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: 5 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -33.891512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.891512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.891512 (E_RNA) where: Base-Base interactions energy: -11.209 where: short stacking energy: -11.209 Base-Backbone interact. energy: -0.196 local terms energy: -22.486616 where: bonds (distance) C4'-P energy: -2.584 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -6.286 flat angles P-C4'-P energy: -5.269 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: 7, replica: 3 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -30.777324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.777324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.777324 (E_RNA) where: Base-Base interactions energy: -8.990 where: short stacking energy: -8.990 Base-Backbone interact. energy: -0.020 local terms energy: -21.767462 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.003 flat angles P-C4'-P energy: -3.714 tors. eta vs tors. theta energy: 1.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -36.248194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.248194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.248194 (E_RNA) where: Base-Base interactions energy: -11.847 where: short stacking energy: -10.404 Base-Backbone interact. energy: -0.015 local terms energy: -24.386430 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.973 flat angles P-C4'-P energy: -4.245 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: 9, replica: 9 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -27.884075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.884075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.884075 (E_RNA) where: Base-Base interactions energy: -8.379 where: short stacking energy: -8.379 Base-Backbone interact. energy: -0.001 local terms energy: -19.504082 where: bonds (distance) C4'-P energy: -1.835 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -4.684 flat angles P-C4'-P energy: -2.400 tors. eta vs tors. theta energy: -4.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -27.468255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.468255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.468255 (E_RNA) where: Base-Base interactions energy: -4.835 where: short stacking energy: -4.835 Base-Backbone interact. energy: -0.000 local terms energy: -22.632758 where: bonds (distance) C4'-P energy: -5.814 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -5.543 flat angles P-C4'-P energy: -2.838 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: 2 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -37.968152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.968152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.968152 (E_RNA) where: Base-Base interactions energy: -10.281 where: short stacking energy: -10.281 Base-Backbone interact. energy: -0.013 local terms energy: -27.674062 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.660 flat angles P-C4'-P energy: -5.476 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: 2, replica: 1 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -38.230949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.230949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.230949 (E_RNA) where: Base-Base interactions energy: -12.874 where: short stacking energy: -12.874 Base-Backbone interact. energy: -0.002 local terms energy: -25.354399 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.481 flat angles P-C4'-P energy: -3.287 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: 3, replica: 6 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -37.396224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.396224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.396224 (E_RNA) where: Base-Base interactions energy: -12.416 where: short stacking energy: -12.416 Base-Backbone interact. energy: -0.000 local terms energy: -24.979857 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -2.798 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: 4, replica: 8 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -32.521842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.521842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.521842 (E_RNA) where: Base-Base interactions energy: -8.167 where: short stacking energy: -8.167 Base-Backbone interact. energy: -0.101 local terms energy: -24.254171 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -3.839 flat angles P-C4'-P energy: -5.680 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: 5, replica: 7 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -32.046251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.046251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.046251 (E_RNA) where: Base-Base interactions energy: -10.401 where: short stacking energy: -10.401 Base-Backbone interact. energy: -0.000 local terms energy: -21.645209 where: bonds (distance) C4'-P energy: -4.367 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -3.640 flat angles P-C4'-P energy: -4.869 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: 6, replica: 3 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -29.654492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.654492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.654492 (E_RNA) where: Base-Base interactions energy: -6.724 where: short stacking energy: -6.724 Base-Backbone interact. energy: -0.042 local terms energy: -22.888342 where: bonds (distance) C4'-P energy: -4.378 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.027 flat angles P-C4'-P energy: -4.146 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: 7, replica: 5 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -34.052987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.052987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.052987 (E_RNA) where: Base-Base interactions energy: -11.333 where: short stacking energy: -11.333 Base-Backbone interact. energy: -0.000 local terms energy: -22.719916 where: bonds (distance) C4'-P energy: -2.283 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.658 flat angles P-C4'-P energy: -3.441 tors. eta vs tors. theta energy: -2.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -27.620427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.620427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.620427 (E_RNA) where: Base-Base interactions energy: -3.393 where: short stacking energy: -3.393 Base-Backbone interact. energy: -0.000 local terms energy: -24.226729 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -2.150 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: 9, replica: 4 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -27.159707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.159707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.159707 (E_RNA) where: Base-Base interactions energy: -4.005 where: short stacking energy: -4.005 Base-Backbone interact. energy: -0.679 local terms energy: -22.475971 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.058 flat angles P-C4'-P energy: -4.140 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: 10, replica: 10 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -28.337832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.337832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.337832 (E_RNA) where: Base-Base interactions energy: -5.926 where: short stacking energy: -5.926 Base-Backbone interact. energy: -0.010 local terms energy: -22.401454 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -2.627 flat angles P-C4'-P energy: -5.132 tors. eta vs tors. theta energy: -0.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -38.732628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.732628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.732628 (E_RNA) where: Base-Base interactions energy: -10.188 where: short stacking energy: -10.188 Base-Backbone interact. energy: -0.000 local terms energy: -28.544196 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -4.944 flat angles P-C4'-P energy: -4.306 tors. eta vs tors. theta energy: -4.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -36.445485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.445485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.445485 (E_RNA) where: Base-Base interactions energy: -9.036 where: short stacking energy: -9.036 Base-Backbone interact. energy: -0.001 local terms energy: -27.408484 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.892 flat angles P-C4'-P energy: -3.186 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: 3, replica: 8 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -35.765411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.765411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.765411 (E_RNA) where: Base-Base interactions energy: -8.953 where: short stacking energy: -8.327 Base-Backbone interact. energy: -1.342 local terms energy: -25.470330 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -4.834 tors. eta vs tors. theta energy: -2.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -36.068789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.068789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.068789 (E_RNA) where: Base-Base interactions energy: -10.897 where: short stacking energy: -10.897 Base-Backbone interact. energy: -0.000 local terms energy: -25.172182 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -5.630 flat angles P-C4'-P energy: -3.942 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: 5, replica: 3 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -35.028431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.028431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.028431 (E_RNA) where: Base-Base interactions energy: -10.066 where: short stacking energy: -10.066 Base-Backbone interact. energy: -0.004 local terms energy: -24.958621 where: bonds (distance) C4'-P energy: -4.378 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -7.030 flat angles P-C4'-P energy: -3.576 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: 6, replica: 7 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -29.953757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.953757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.953757 (E_RNA) where: Base-Base interactions energy: -8.280 where: short stacking energy: -8.280 Base-Backbone interact. energy: -0.114 local terms energy: -21.559158 where: bonds (distance) C4'-P energy: -5.106 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.290 flat angles P-C4'-P energy: -5.548 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: 7, replica: 9 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -33.911154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.911154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.911154 (E_RNA) where: Base-Base interactions energy: -7.025 where: short stacking energy: -7.025 Base-Backbone interact. energy: -0.004 local terms energy: -26.882001 where: bonds (distance) C4'-P energy: -3.550 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.016 flat angles P-C4'-P energy: -5.987 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: 8, replica: 5 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -42.489589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.489589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.489589 (E_RNA) where: Base-Base interactions energy: -15.231 where: short stacking energy: -15.231 Base-Backbone interact. energy: -0.000 local terms energy: -27.258762 where: bonds (distance) C4'-P energy: -2.441 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.209 flat angles P-C4'-P energy: -2.772 tors. eta vs tors. theta energy: -7.042 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: 9, replica: 10 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -29.063316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.063316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.063316 (E_RNA) where: Base-Base interactions energy: -11.824 where: short stacking energy: -11.824 Base-Backbone interact. energy: -0.014 local terms energy: -17.225300 where: bonds (distance) C4'-P energy: -2.743 bonds (distance) P-C4' energy: -5.091 flat angles C4'-P-C4' energy: -3.720 flat angles P-C4'-P energy: -2.600 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: 10, replica: 4 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -41.526963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.526963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.526963 (E_RNA) where: Base-Base interactions energy: -13.145 where: short stacking energy: -13.145 Base-Backbone interact. energy: -0.000 local terms energy: -28.381896 where: bonds (distance) C4'-P energy: -4.548 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.161 flat angles P-C4'-P energy: -3.833 tors. eta vs tors. theta energy: -6.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -45.559311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.559311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.559311 (E_RNA) where: Base-Base interactions energy: -15.467 where: short stacking energy: -15.467 Base-Backbone interact. energy: -0.003 local terms energy: -30.089350 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -7.014 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: -4.693 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: 8 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -35.686331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.686331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.686331 (E_RNA) where: Base-Base interactions energy: -6.768 where: short stacking energy: -6.768 Base-Backbone interact. energy: -0.001 local terms energy: -28.916620 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -6.852 flat angles P-C4'-P energy: -5.278 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: 3, replica: 2 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -45.048224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.048224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.048224 (E_RNA) where: Base-Base interactions energy: -14.562 where: short stacking energy: -14.562 Base-Backbone interact. energy: -0.000 local terms energy: -30.485985 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.252 flat angles P-C4'-P energy: -4.768 tors. eta vs tors. theta energy: -6.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -34.366520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.366520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.366520 (E_RNA) where: Base-Base interactions energy: -9.288 where: short stacking energy: -9.288 Base-Backbone interact. energy: -0.000 local terms energy: -25.078021 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -5.577 flat angles P-C4'-P energy: -4.449 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: 5, replica: 6 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -33.203125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.203125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.203125 (E_RNA) where: Base-Base interactions energy: -8.027 where: short stacking energy: -8.027 Base-Backbone interact. energy: -0.001 local terms energy: -25.175364 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -7.187 flat angles P-C4'-P energy: -5.169 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: 6, replica: 9 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -30.209033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.209033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.209033 (E_RNA) where: Base-Base interactions energy: -9.997 where: short stacking energy: -9.997 Base-Backbone interact. energy: -0.080 local terms energy: -20.131948 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -6.029 flat angles C4'-P-C4' energy: -4.982 flat angles P-C4'-P energy: -2.543 tors. eta vs tors. theta energy: -0.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -31.035827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.035827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.035827 (E_RNA) where: Base-Base interactions energy: -7.039 where: short stacking energy: -7.039 Base-Backbone interact. energy: -0.098 local terms energy: -23.898706 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -5.850 flat angles P-C4'-P energy: -4.626 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: 8, replica: 10 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -27.906272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.906272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.906272 (E_RNA) where: Base-Base interactions energy: -8.386 where: short stacking energy: -8.596 Base-Backbone interact. energy: -0.024 local terms energy: -19.496668 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -4.550 flat angles P-C4'-P energy: -5.830 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: 5 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -30.268043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.268043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.268043 (E_RNA) where: Base-Base interactions energy: -6.469 where: short stacking energy: -6.469 Base-Backbone interact. energy: -0.024 local terms energy: -23.774425 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.548 flat angles P-C4'-P energy: -4.857 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: 10, replica: 4 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -29.947777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.947777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.947777 (E_RNA) where: Base-Base interactions energy: -6.292 where: short stacking energy: -6.292 Base-Backbone interact. energy: -0.022 local terms energy: -23.633493 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -4.020 flat angles P-C4'-P energy: -3.670 tors. eta vs tors. theta energy: -2.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -39.288019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.288019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.288019 (E_RNA) where: Base-Base interactions energy: -14.683 where: short stacking energy: -14.683 Base-Backbone interact. energy: -0.009 local terms energy: -24.595660 where: bonds (distance) C4'-P energy: -6.593 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -4.407 flat angles P-C4'-P energy: -4.478 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: 2, replica: 1 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -37.765527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.765527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.765527 (E_RNA) where: Base-Base interactions energy: -12.812 where: short stacking energy: -12.812 Base-Backbone interact. energy: -0.201 local terms energy: -24.753061 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -5.943 flat angles P-C4'-P energy: -5.147 tors. eta vs tors. theta energy: -0.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -36.373584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.373584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.373584 (E_RNA) where: Base-Base interactions energy: -8.120 where: short stacking energy: -8.120 Base-Backbone interact. energy: -0.627 local terms energy: -27.626338 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.758 flat angles P-C4'-P energy: -5.107 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: 4, replica: 2 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -37.495631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.495631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.495631 (E_RNA) where: Base-Base interactions energy: -10.585 where: short stacking energy: -10.585 Base-Backbone interact. energy: -0.000 local terms energy: -26.910795 where: bonds (distance) C4'-P energy: -3.509 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.038 flat angles P-C4'-P energy: -3.977 tors. eta vs tors. theta energy: -4.852 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: 5, replica: 6 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -36.496374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.496374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.496374 (E_RNA) where: Base-Base interactions energy: -11.308 where: short stacking energy: -11.308 Base-Backbone interact. energy: -0.010 local terms energy: -25.178932 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -4.848 tors. eta vs tors. theta energy: -1.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -38.070090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.070090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.070090 (E_RNA) where: Base-Base interactions energy: -14.080 where: short stacking energy: -14.080 Base-Backbone interact. energy: -0.013 local terms energy: -23.976840 where: bonds (distance) C4'-P energy: -5.106 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -5.212 flat angles P-C4'-P energy: -2.714 tors. eta vs tors. theta energy: -4.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -31.232764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.232764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.232764 (E_RNA) where: Base-Base interactions energy: -5.870 where: short stacking energy: -5.870 Base-Backbone interact. energy: -0.000 local terms energy: -25.362877 where: bonds (distance) C4'-P energy: -6.286 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.276 flat angles P-C4'-P energy: -3.706 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: 8, replica: 7 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -27.364877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.364877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.364877 (E_RNA) where: Base-Base interactions energy: -8.607 where: short stacking energy: -8.607 Base-Backbone interact. energy: -0.000 local terms energy: -18.757770 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -2.047 flat angles P-C4'-P energy: -2.173 tors. eta vs tors. theta energy: -1.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -31.784270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.784270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.784270 (E_RNA) where: Base-Base interactions energy: -5.653 where: short stacking energy: -5.653 Base-Backbone interact. energy: -0.000 local terms energy: -26.131252 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.215 flat angles P-C4'-P energy: -4.944 tors. eta vs tors. theta energy: -1.571 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: 5 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -29.749658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.749658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.749658 (E_RNA) where: Base-Base interactions energy: -5.200 where: short stacking energy: -5.200 Base-Backbone interact. energy: -0.005 local terms energy: -24.544716 where: bonds (distance) C4'-P energy: -5.355 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.612 flat angles P-C4'-P energy: -5.832 tors. eta vs tors. theta energy: -0.183 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: 1, replica: 8 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -45.110788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.110788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.110788 (E_RNA) where: Base-Base interactions energy: -13.718 where: short stacking energy: -13.718 Base-Backbone interact. energy: -0.000 local terms energy: -31.392703 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.857 flat angles P-C4'-P energy: -4.702 tors. eta vs tors. theta energy: -5.420 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: 1 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -39.512235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.512235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.512235 (E_RNA) where: Base-Base interactions energy: -11.141 where: short stacking energy: -11.141 Base-Backbone interact. energy: -0.000 local terms energy: -28.370987 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -6.520 flat angles P-C4'-P energy: -3.872 tors. eta vs tors. theta energy: -4.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -34.856051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.856051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.856051 (E_RNA) where: Base-Base interactions energy: -9.432 where: short stacking energy: -9.432 Base-Backbone interact. energy: -0.059 local terms energy: -25.365328 where: bonds (distance) C4'-P energy: -6.286 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.162 flat angles P-C4'-P energy: -5.687 tors. eta vs tors. theta energy: -0.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -39.658700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.658700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.658700 (E_RNA) where: Base-Base interactions energy: -14.430 where: short stacking energy: -14.430 Base-Backbone interact. energy: -0.012 local terms energy: -25.216256 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -2.901 flat angles P-C4'-P energy: -3.562 tors. eta vs tors. theta energy: -5.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -38.385555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.385555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.385555 (E_RNA) where: Base-Base interactions energy: -10.966 where: short stacking energy: -10.962 Base-Backbone interact. energy: -0.010 local terms energy: -27.409184 where: bonds (distance) C4'-P energy: -5.405 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.410 flat angles P-C4'-P energy: -4.669 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: 6, replica: 10 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -32.243894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.243894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.243894 (E_RNA) where: Base-Base interactions energy: -8.413 where: short stacking energy: -8.413 Base-Backbone interact. energy: -0.017 local terms energy: -23.814400 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.425 flat angles P-C4'-P energy: -4.973 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: 9 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -32.969170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.969170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.969170 (E_RNA) where: Base-Base interactions energy: -7.729 where: short stacking energy: -7.729 Base-Backbone interact. energy: -0.004 local terms energy: -25.235997 where: bonds (distance) C4'-P energy: -3.555 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -6.216 flat angles P-C4'-P energy: -4.547 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: 8, replica: 4 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -30.908934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.908934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.908934 (E_RNA) where: Base-Base interactions energy: -8.645 where: short stacking energy: -8.645 Base-Backbone interact. energy: -0.000 local terms energy: -22.263908 where: bonds (distance) C4'-P energy: -5.310 bonds (distance) P-C4' energy: -5.745 flat angles C4'-P-C4' energy: -4.847 flat angles P-C4'-P energy: -3.698 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: 9, replica: 7 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -30.181558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.181558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.181558 (E_RNA) where: Base-Base interactions energy: -4.537 where: short stacking energy: -4.537 Base-Backbone interact. energy: -0.241 local terms energy: -25.403978 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.002 flat angles P-C4'-P energy: -4.102 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: 10, replica: 5 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -31.474698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.474698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.474698 (E_RNA) where: Base-Base interactions energy: -7.323 where: short stacking energy: -7.323 Base-Backbone interact. energy: -0.000 local terms energy: -24.151280 where: bonds (distance) C4'-P energy: -4.316 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.579 flat angles P-C4'-P energy: -5.520 tors. eta vs tors. theta energy: -1.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -43.338070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.338070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.338070 (E_RNA) where: Base-Base interactions energy: -15.550 where: short stacking energy: -15.550 Base-Backbone interact. energy: -0.000 local terms energy: -27.787805 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -6.290 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -4.123 tors. eta vs tors. theta energy: -5.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -42.110397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.110397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.110397 (E_RNA) where: Base-Base interactions energy: -13.237 where: short stacking energy: -13.237 Base-Backbone interact. energy: -0.001 local terms energy: -28.873069 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.634 flat angles P-C4'-P energy: -4.607 tors. eta vs tors. theta energy: -4.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -33.089472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.089472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.089472 (E_RNA) where: Base-Base interactions energy: -7.268 where: short stacking energy: -7.268 Base-Backbone interact. energy: -0.000 local terms energy: -25.821449 where: bonds (distance) C4'-P energy: -5.719 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -5.552 flat angles P-C4'-P energy: -4.623 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: 4, replica: 3 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -34.742037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.742037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.742037 (E_RNA) where: Base-Base interactions energy: -7.788 where: short stacking energy: -7.788 Base-Backbone interact. energy: -0.165 local terms energy: -26.788617 where: bonds (distance) C4'-P energy: -6.845 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -4.900 flat angles P-C4'-P energy: -3.762 tors. eta vs tors. theta energy: -3.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -33.319326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.319326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.319326 (E_RNA) where: Base-Base interactions energy: -9.566 where: short stacking energy: -9.566 Base-Backbone interact. energy: -0.003 local terms energy: -23.750213 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -6.333 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -1.951 tors. eta vs tors. theta energy: -3.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -36.861126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.861126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.861126 (E_RNA) where: Base-Base interactions energy: -12.801 where: short stacking energy: -12.801 Base-Backbone interact. energy: -0.002 local terms energy: -24.057733 where: bonds (distance) C4'-P energy: -4.432 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -6.111 flat angles P-C4'-P energy: -4.895 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: 7, replica: 4 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -32.115668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.115668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.115668 (E_RNA) where: Base-Base interactions energy: -6.284 where: short stacking energy: -6.284 Base-Backbone interact. energy: 0.152 local terms energy: -25.983650 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -6.712 flat angles P-C4'-P energy: -5.702 tors. eta vs tors. theta energy: -0.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -35.598287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.598287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.598287 (E_RNA) where: Base-Base interactions energy: -7.499 where: short stacking energy: -7.499 Base-Backbone interact. energy: -0.005 local terms energy: -28.094063 where: bonds (distance) C4'-P energy: -6.709 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -6.779 flat angles P-C4'-P energy: -5.900 tors. eta vs tors. theta energy: -2.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -28.888989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.888989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.888989 (E_RNA) where: Base-Base interactions energy: -7.823 where: short stacking energy: -7.823 Base-Backbone interact. energy: -0.084 local terms energy: -20.981565 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -5.610 flat angles P-C4'-P energy: -2.660 tors. eta vs tors. theta energy: -0.067 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: 10, replica: 7 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -27.262402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.262402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.262402 (E_RNA) where: Base-Base interactions energy: -7.836 where: short stacking energy: -7.836 Base-Backbone interact. energy: -0.022 local terms energy: -19.404485 where: bonds (distance) C4'-P energy: -5.893 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -3.829 flat angles P-C4'-P energy: -2.991 tors. eta vs tors. theta energy: 0.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -37.256647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.256647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.256647 (E_RNA) where: Base-Base interactions energy: -10.422 where: short stacking energy: -10.422 Base-Backbone interact. energy: -0.021 local terms energy: -26.813649 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -5.946 flat angles C4'-P-C4' energy: -7.539 flat angles P-C4'-P energy: -5.009 tors. eta vs tors. theta energy: -1.956 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: 6 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -40.798694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.798694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.798694 (E_RNA) where: Base-Base interactions energy: -12.682 where: short stacking energy: -12.682 Base-Backbone interact. energy: -0.076 local terms energy: -28.041487 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.919 flat angles P-C4'-P energy: -5.442 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: 3, replica: 1 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -36.446207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.446207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.446207 (E_RNA) where: Base-Base interactions energy: -13.294 where: short stacking energy: -13.294 Base-Backbone interact. energy: -0.002 local terms energy: -23.150837 where: bonds (distance) C4'-P energy: -4.784 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -5.328 flat angles P-C4'-P energy: -4.096 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: 4, replica: 10 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -35.244581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.244581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.244581 (E_RNA) where: Base-Base interactions energy: -8.661 where: short stacking energy: -8.661 Base-Backbone interact. energy: -0.000 local terms energy: -26.583424 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -4.426 flat angles P-C4'-P energy: -4.995 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: 5, replica: 3 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -39.526872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.526872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.526872 (E_RNA) where: Base-Base interactions energy: -11.849 where: short stacking energy: -11.849 Base-Backbone interact. energy: -0.019 local terms energy: -27.659475 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.205 flat angles P-C4'-P energy: -5.557 tors. eta vs tors. theta energy: -1.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -29.893554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.893554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.893554 (E_RNA) where: Base-Base interactions energy: -9.305 where: short stacking energy: -7.110 Base-Backbone interact. energy: -0.113 local terms energy: -20.474939 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.437 flat angles P-C4'-P energy: -2.247 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: 7, replica: 2 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -29.425795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.425795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.425795 (E_RNA) where: Base-Base interactions energy: -6.589 where: short stacking energy: -6.589 Base-Backbone interact. energy: -0.025 local terms energy: -22.811689 where: bonds (distance) C4'-P energy: -4.908 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.387 flat angles P-C4'-P energy: -2.380 tors. eta vs tors. theta energy: -1.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -31.352715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.352715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.352715 (E_RNA) where: Base-Base interactions energy: -9.039 where: short stacking energy: -9.039 Base-Backbone interact. energy: -0.000 local terms energy: -22.314091 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -2.884 flat angles P-C4'-P energy: -3.121 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: 9, replica: 9 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -29.649149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.649149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.649149 (E_RNA) where: Base-Base interactions energy: -8.844 where: short stacking energy: -8.844 Base-Backbone interact. energy: -0.029 local terms energy: -20.776080 where: bonds (distance) C4'-P energy: -3.504 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -4.302 flat angles P-C4'-P energy: -4.677 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: 7 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -27.341365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.341365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.341365 (E_RNA) where: Base-Base interactions energy: -3.921 where: short stacking energy: -3.921 Base-Backbone interact. energy: -0.002 local terms energy: -23.418854 where: bonds (distance) C4'-P energy: -5.579 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.774 flat angles P-C4'-P energy: -5.591 tors. eta vs tors. theta energy: 0.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -41.154729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.154729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.154729 (E_RNA) where: Base-Base interactions energy: -12.756 where: short stacking energy: -12.756 Base-Backbone interact. energy: -0.084 local terms energy: -28.314255 where: bonds (distance) C4'-P energy: -4.386 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.913 flat angles P-C4'-P energy: -5.360 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: 8 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -36.641218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.641218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.641218 (E_RNA) where: Base-Base interactions energy: -9.984 where: short stacking energy: -9.984 Base-Backbone interact. energy: -0.000 local terms energy: -26.656836 where: bonds (distance) C4'-P energy: -5.165 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -7.300 flat angles P-C4'-P energy: -5.215 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: 10 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -37.779723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.779723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.779723 (E_RNA) where: Base-Base interactions energy: -10.723 where: short stacking energy: -10.723 Base-Backbone interact. energy: -0.003 local terms energy: -27.053350 where: bonds (distance) C4'-P energy: -5.563 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -6.797 flat angles P-C4'-P energy: -2.533 tors. eta vs tors. theta energy: -4.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -39.424564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.424564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.424564 (E_RNA) where: Base-Base interactions energy: -13.203 where: short stacking energy: -13.203 Base-Backbone interact. energy: -0.079 local terms energy: -26.142557 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -5.078 flat angles P-C4'-P energy: -3.044 tors. eta vs tors. theta energy: -4.991 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: 5, replica: 4 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -34.167764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.167764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.167764 (E_RNA) where: Base-Base interactions energy: -9.838 where: short stacking energy: -9.838 Base-Backbone interact. energy: -1.525 local terms energy: -22.805167 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -0.605 flat angles P-C4'-P energy: -3.945 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: 6, replica: 3 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -34.503163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.503163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.503163 (E_RNA) where: Base-Base interactions energy: -12.112 where: short stacking energy: -8.157 Base-Backbone interact. energy: -0.490 local terms energy: -21.901399 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.643 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -5.460 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: 7, replica: 5 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -30.857762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.857762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.857762 (E_RNA) where: Base-Base interactions energy: -8.157 where: short stacking energy: -8.157 Base-Backbone interact. energy: 0.374 local terms energy: -23.074942 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -2.483 flat angles P-C4'-P energy: -3.935 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: 2 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -38.163208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.163208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.163208 (E_RNA) where: Base-Base interactions energy: -12.684 where: short stacking energy: -12.684 Base-Backbone interact. energy: -0.059 local terms energy: -25.420856 where: bonds (distance) C4'-P energy: -4.481 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -7.558 flat angles P-C4'-P energy: -2.406 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: 9, replica: 7 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -28.344732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.344732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.344732 (E_RNA) where: Base-Base interactions energy: -8.741 where: short stacking energy: -8.741 Base-Backbone interact. energy: -0.000 local terms energy: -19.603726 where: bonds (distance) C4'-P energy: -4.598 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -2.334 flat angles P-C4'-P energy: -3.344 tors. eta vs tors. theta energy: -2.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -29.560595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.560595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.560595 (E_RNA) where: Base-Base interactions energy: -4.405 where: short stacking energy: -4.405 Base-Backbone interact. energy: -0.048 local terms energy: -25.107720 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.321 flat angles P-C4'-P energy: -3.498 tors. eta vs tors. theta energy: -2.281 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: 6 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -36.443030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.443030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.443030 (E_RNA) where: Base-Base interactions energy: -8.007 where: short stacking energy: -8.007 Base-Backbone interact. energy: -0.042 local terms energy: -28.394310 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.934 flat angles P-C4'-P energy: -5.837 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: 2, replica: 8 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -42.046561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.046561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.046561 (E_RNA) where: Base-Base interactions energy: -15.193 where: short stacking energy: -15.193 Base-Backbone interact. energy: -0.093 local terms energy: -26.760446 where: bonds (distance) C4'-P energy: -5.061 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -7.022 flat angles P-C4'-P energy: -4.488 tors. eta vs tors. theta energy: -4.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -35.082094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.082094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.082094 (E_RNA) where: Base-Base interactions energy: -9.184 where: short stacking energy: -9.184 Base-Backbone interact. energy: -0.000 local terms energy: -25.898253 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -7.806 flat angles C4'-P-C4' energy: -5.106 flat angles P-C4'-P energy: -4.641 tors. eta vs tors. theta energy: -2.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -39.316358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.316358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.316358 (E_RNA) where: Base-Base interactions energy: -15.077 where: short stacking energy: -15.077 Base-Backbone interact. energy: -0.008 local terms energy: -24.231651 where: bonds (distance) C4'-P energy: -6.025 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -2.785 tors. eta vs tors. theta energy: -3.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -33.556831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.556831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.556831 (E_RNA) where: Base-Base interactions energy: -10.405 where: short stacking energy: -10.405 Base-Backbone interact. energy: 1.305 local terms energy: -24.456296 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.805 flat angles P-C4'-P energy: -3.660 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: 6, replica: 5 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -31.463039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.463039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.463039 (E_RNA) where: Base-Base interactions energy: -6.023 where: short stacking energy: -6.023 Base-Backbone interact. energy: -0.072 local terms energy: -25.367587 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -7.354 flat angles P-C4'-P energy: -4.314 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: 7, replica: 3 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -31.865779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.865779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.865779 (E_RNA) where: Base-Base interactions energy: -9.045 where: short stacking energy: -8.209 Base-Backbone interact. energy: 0.634 local terms energy: -23.454621 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.965 flat angles P-C4'-P energy: -4.837 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: 8, replica: 7 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -27.096745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.096745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.096745 (E_RNA) where: Base-Base interactions energy: -5.482 where: short stacking energy: -5.482 Base-Backbone interact. energy: -0.133 local terms energy: -21.481350 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.079 flat angles P-C4'-P energy: -4.811 tors. eta vs tors. theta energy: 3.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -29.070558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.070558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.070558 (E_RNA) where: Base-Base interactions energy: -8.144 where: short stacking energy: -8.144 Base-Backbone interact. energy: -0.005 local terms energy: -20.921303 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -4.193 flat angles P-C4'-P energy: -4.050 tors. eta vs tors. theta energy: -0.545 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: 9 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -24.968925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.968925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.968925 (E_RNA) where: Base-Base interactions energy: -3.869 where: short stacking energy: -3.869 Base-Backbone interact. energy: -0.032 local terms energy: -21.068044 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -4.418 flat angles P-C4'-P energy: -5.209 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: 1, replica: 8 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -42.290555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.290555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.290555 (E_RNA) where: Base-Base interactions energy: -15.858 where: short stacking energy: -15.858 Base-Backbone interact. energy: -0.196 local terms energy: -26.236553 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.333 flat angles P-C4'-P energy: -5.512 tors. eta vs tors. theta energy: -4.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -41.399846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.399846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.399846 (E_RNA) where: Base-Base interactions energy: -14.324 where: short stacking energy: -14.324 Base-Backbone interact. energy: -0.002 local terms energy: -27.073499 where: bonds (distance) C4'-P energy: -5.364 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.327 flat angles P-C4'-P energy: -2.792 tors. eta vs tors. theta energy: -4.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -37.508372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.508372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.508372 (E_RNA) where: Base-Base interactions energy: -9.019 where: short stacking energy: -9.019 Base-Backbone interact. energy: -0.000 local terms energy: -28.489032 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -4.356 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: 4, replica: 10 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -32.566426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.566426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.566426 (E_RNA) where: Base-Base interactions energy: -9.629 where: short stacking energy: -9.629 Base-Backbone interact. energy: -0.059 local terms energy: -22.879289 where: bonds (distance) C4'-P energy: -5.922 bonds (distance) P-C4' energy: -5.744 flat angles C4'-P-C4' energy: -5.912 flat angles P-C4'-P energy: -3.707 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: 5, replica: 5 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -32.559680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.559680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.559680 (E_RNA) where: Base-Base interactions energy: -10.424 where: short stacking energy: -10.424 Base-Backbone interact. energy: -0.062 local terms energy: -22.073164 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -6.035 flat angles P-C4'-P energy: -3.694 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: 6, replica: 1 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -30.293161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.293161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.293161 (E_RNA) where: Base-Base interactions energy: -5.522 where: short stacking energy: -5.522 Base-Backbone interact. energy: -0.003 local terms energy: -24.767904 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.374 flat angles P-C4'-P energy: -2.470 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: 7, replica: 7 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -33.110492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.110492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.110492 (E_RNA) where: Base-Base interactions energy: -9.836 where: short stacking energy: -9.836 Base-Backbone interact. energy: -0.095 local terms energy: -23.179325 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.496 flat angles P-C4'-P energy: -3.006 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: 8, replica: 3 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -29.470077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.470077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.470077 (E_RNA) where: Base-Base interactions energy: -5.865 where: short stacking energy: -5.865 Base-Backbone interact. energy: -0.049 local terms energy: -23.555635 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -4.406 tors. eta vs tors. theta energy: -1.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -29.161981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.161981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.161981 (E_RNA) where: Base-Base interactions energy: -7.287 where: short stacking energy: -7.287 Base-Backbone interact. energy: -0.059 local terms energy: -21.816518 where: bonds (distance) C4'-P energy: -5.235 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -5.337 flat angles P-C4'-P energy: -4.412 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: 10, replica: 2 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -32.988836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.988836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.988836 (E_RNA) where: Base-Base interactions energy: -8.281 where: short stacking energy: -8.281 Base-Backbone interact. energy: -0.043 local terms energy: -24.665058 where: bonds (distance) C4'-P energy: -5.558 bonds (distance) P-C4' energy: -6.301 flat angles C4'-P-C4' energy: -3.330 flat angles P-C4'-P energy: -5.862 tors. eta vs tors. theta energy: -3.614 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: 8 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -36.241724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.241724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.241724 (E_RNA) where: Base-Base interactions energy: -11.516 where: short stacking energy: -11.516 Base-Backbone interact. energy: -0.097 local terms energy: -24.629130 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -3.912 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: 2, replica: 4 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -39.214185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.214185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.214185 (E_RNA) where: Base-Base interactions energy: -10.780 where: short stacking energy: -10.780 Base-Backbone interact. energy: -0.000 local terms energy: -28.433894 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -5.754 tors. eta vs tors. theta energy: -3.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -39.621919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.621919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.621919 (E_RNA) where: Base-Base interactions energy: -14.080 where: short stacking energy: -14.080 Base-Backbone interact. energy: -0.000 local terms energy: -25.542226 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.966 flat angles P-C4'-P energy: -0.923 tors. eta vs tors. theta energy: -5.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -34.746849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.746849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.746849 (E_RNA) where: Base-Base interactions energy: -9.843 where: short stacking energy: -9.843 Base-Backbone interact. energy: -0.000 local terms energy: -24.903614 where: bonds (distance) C4'-P energy: -3.521 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -4.862 flat angles P-C4'-P energy: -4.643 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: 5, replica: 5 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -30.104014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.104014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.104014 (E_RNA) where: Base-Base interactions energy: -7.657 where: short stacking energy: -7.657 Base-Backbone interact. energy: -0.037 local terms energy: -22.409929 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -4.599 flat angles C4'-P-C4' energy: -5.744 flat angles P-C4'-P energy: -2.806 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: 6, replica: 7 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -35.307203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.307203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.307203 (E_RNA) where: Base-Base interactions energy: -13.551 where: short stacking energy: -13.551 Base-Backbone interact. energy: -0.000 local terms energy: -21.756070 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -5.615 flat angles C4'-P-C4' energy: -5.582 flat angles P-C4'-P energy: -1.734 tors. eta vs tors. theta energy: -3.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -37.024614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.024614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.024614 (E_RNA) where: Base-Base interactions energy: -12.021 where: short stacking energy: -12.021 Base-Backbone interact. energy: -0.093 local terms energy: -24.911055 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -5.952 flat angles C4'-P-C4' energy: -6.248 flat angles P-C4'-P energy: -6.172 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: 8, replica: 3 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -30.637542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.637542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.637542 (E_RNA) where: Base-Base interactions energy: -7.840 where: short stacking energy: -7.840 Base-Backbone interact. energy: -0.037 local terms energy: -22.760097 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.914 flat angles P-C4'-P energy: -3.694 tors. eta vs tors. theta energy: 0.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -31.022305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.022305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.022305 (E_RNA) where: Base-Base interactions energy: -6.242 where: short stacking energy: -5.452 Base-Backbone interact. energy: -0.007 local terms energy: -24.773327 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -5.899 flat angles P-C4'-P energy: -6.007 tors. eta vs tors. theta energy: -0.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -31.051457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.051457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.051457 (E_RNA) where: Base-Base interactions energy: -5.203 where: short stacking energy: -5.203 Base-Backbone interact. energy: -0.093 local terms energy: -25.755361 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.365 flat angles P-C4'-P energy: -5.372 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: 1, replica: 4 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -42.138559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.138559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.138559 (E_RNA) where: Base-Base interactions energy: -12.590 where: short stacking energy: -12.590 Base-Backbone interact. energy: -0.000 local terms energy: -29.548279 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -3.966 tors. eta vs tors. theta energy: -5.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -38.421392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.421392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.421392 (E_RNA) where: Base-Base interactions energy: -12.669 where: short stacking energy: -12.669 Base-Backbone interact. energy: -0.000 local terms energy: -25.752454 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.129 flat angles P-C4'-P energy: -3.622 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: 3, replica: 6 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -37.808745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.808745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.808745 (E_RNA) where: Base-Base interactions energy: -10.911 where: short stacking energy: -10.911 Base-Backbone interact. energy: -0.002 local terms energy: -26.896307 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -5.721 flat angles P-C4'-P energy: -4.754 tors. eta vs tors. theta energy: -3.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -34.060188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.060188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.060188 (E_RNA) where: Base-Base interactions energy: -10.138 where: short stacking energy: -10.138 Base-Backbone interact. energy: -0.002 local terms energy: -23.919978 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: -3.052 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: 5, replica: 7 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -30.417123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.417123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.417123 (E_RNA) where: Base-Base interactions energy: -7.841 where: short stacking energy: -7.841 Base-Backbone interact. energy: -1.477 local terms energy: -21.099225 where: bonds (distance) C4'-P energy: -5.487 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -6.011 flat angles P-C4'-P energy: -4.479 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: 6, replica: 5 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -32.656348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.656348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.656348 (E_RNA) where: Base-Base interactions energy: -9.191 where: short stacking energy: -7.555 Base-Backbone interact. energy: -0.104 local terms energy: -23.360795 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.248 flat angles P-C4'-P energy: -3.351 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: 7, replica: 3 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -34.888469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.888469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.888469 (E_RNA) where: Base-Base interactions energy: -11.366 where: short stacking energy: -11.366 Base-Backbone interact. energy: -0.096 local terms energy: -23.426388 where: bonds (distance) C4'-P energy: -3.719 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -6.639 flat angles P-C4'-P energy: -4.739 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: 490 Temperature: 1.250000 Total energy: -28.992002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.992002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.992002 (E_RNA) where: Base-Base interactions energy: -5.482 where: short stacking energy: -6.177 Base-Backbone interact. energy: -0.004 local terms energy: -23.506506 where: bonds (distance) C4'-P energy: -3.103 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.229 flat angles P-C4'-P energy: -5.013 tors. eta vs tors. theta energy: -1.595 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: 9, replica: 2 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -32.020846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.020846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.020846 (E_RNA) where: Base-Base interactions energy: -6.185 where: short stacking energy: -6.185 Base-Backbone interact. energy: -0.003 local terms energy: -25.832887 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.026 flat angles P-C4'-P energy: -4.124 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: 10, replica: 9 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -27.468613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.468613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.468613 (E_RNA) where: Base-Base interactions energy: -7.318 where: short stacking energy: -7.318 Base-Backbone interact. energy: -0.161 local terms energy: -19.989426 where: bonds (distance) C4'-P energy: -4.457 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -6.699 flat angles P-C4'-P energy: -0.963 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: 1, replica: 4 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -37.025770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.025770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.025770 (E_RNA) where: Base-Base interactions energy: -13.949 where: short stacking energy: -11.251 Base-Backbone interact. energy: -0.068 local terms energy: -23.008307 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.658 flat angles P-C4'-P energy: -4.122 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: 2, replica: 6 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -35.295191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.295191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.295191 (E_RNA) where: Base-Base interactions energy: -9.391 where: short stacking energy: -9.391 Base-Backbone interact. energy: -0.032 local terms energy: -25.871565 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -4.894 flat angles P-C4'-P energy: -5.502 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: 3, replica: 8 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -38.677259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.677259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.677259 (E_RNA) where: Base-Base interactions energy: -9.063 where: short stacking energy: -9.063 Base-Backbone interact. energy: -0.006 local terms energy: -29.608521 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.992 flat angles P-C4'-P energy: -6.004 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: 4, replica: 7 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -33.127942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.127942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.127942 (E_RNA) where: Base-Base interactions energy: -7.372 where: short stacking energy: -7.372 Base-Backbone interact. energy: -0.001 local terms energy: -25.755479 where: bonds (distance) C4'-P energy: -4.564 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -5.175 flat angles P-C4'-P energy: -4.726 tors. eta vs tors. theta energy: -4.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -34.714424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.714424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.714424 (E_RNA) where: Base-Base interactions energy: -12.082 where: short stacking energy: -12.082 Base-Backbone interact. energy: -0.000 local terms energy: -22.632749 where: bonds (distance) C4'-P energy: -4.954 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -5.639 flat angles P-C4'-P energy: -1.595 tors. eta vs tors. theta energy: -3.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -31.419915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.419915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.419915 (E_RNA) where: Base-Base interactions energy: -7.442 where: short stacking energy: -7.442 Base-Backbone interact. energy: -0.066 local terms energy: -23.911269 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -7.308 flat angles P-C4'-P energy: -2.189 tors. eta vs tors. theta energy: -2.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -33.395729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.395729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.395729 (E_RNA) where: Base-Base interactions energy: -8.796 where: short stacking energy: -8.796 Base-Backbone interact. energy: -0.009 local terms energy: -24.591356 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -4.018 flat angles P-C4'-P energy: -2.905 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: 8, replica: 2 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -34.003496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.003496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.003496 (E_RNA) where: Base-Base interactions energy: -5.992 where: short stacking energy: -5.992 Base-Backbone interact. energy: -0.000 local terms energy: -28.011163 where: bonds (distance) C4'-P energy: -6.845 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.133 flat angles P-C4'-P energy: -5.633 tors. eta vs tors. theta energy: -1.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -33.410053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.410053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.410053 (E_RNA) where: Base-Base interactions energy: -11.165 where: short stacking energy: -9.453 Base-Backbone interact. energy: 0.194 local terms energy: -22.438872 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -3.332 tors. eta vs tors. theta energy: -0.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -29.597496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.597496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.597496 (E_RNA) where: Base-Base interactions energy: -8.115 where: short stacking energy: -8.115 Base-Backbone interact. energy: -0.014 local terms energy: -21.468892 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -1.625 flat angles P-C4'-P energy: -5.174 tors. eta vs tors. theta energy: -0.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -40.550957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.550957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.550957 (E_RNA) where: Base-Base interactions energy: -13.964 where: short stacking energy: -13.964 Base-Backbone interact. energy: -0.000 local terms energy: -26.587144 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -7.220 flat angles P-C4'-P energy: -3.827 tors. eta vs tors. theta energy: -2.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -42.447034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.447034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.447034 (E_RNA) where: Base-Base interactions energy: -13.775 where: short stacking energy: -13.775 Base-Backbone interact. energy: -0.000 local terms energy: -28.671683 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.985 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -5.010 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: 3, replica: 7 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -38.424759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.424759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.424759 (E_RNA) where: Base-Base interactions energy: -12.547 where: short stacking energy: -12.547 Base-Backbone interact. energy: -0.000 local terms energy: -25.878141 where: bonds (distance) C4'-P energy: -5.165 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.062 flat angles P-C4'-P energy: -1.296 tors. eta vs tors. theta energy: -4.560 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: 8 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -32.589857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.589857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.589857 (E_RNA) where: Base-Base interactions energy: -11.939 where: short stacking energy: -11.939 Base-Backbone interact. energy: -0.217 local terms energy: -20.434252 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -4.889 flat angles P-C4'-P energy: -5.629 tors. eta vs tors. theta energy: 2.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -37.533630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.533630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.533630 (E_RNA) where: Base-Base interactions energy: -10.682 where: short stacking energy: -10.682 Base-Backbone interact. energy: -0.000 local terms energy: -26.851954 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -4.768 flat angles C4'-P-C4' energy: -4.909 flat angles P-C4'-P energy: -5.874 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: 10 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -33.372821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.372821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.372821 (E_RNA) where: Base-Base interactions energy: -8.401 where: short stacking energy: -8.401 Base-Backbone interact. energy: -0.000 local terms energy: -24.971453 where: bonds (distance) C4'-P energy: -5.902 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -5.493 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: -2.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -33.542678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.542678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.542678 (E_RNA) where: Base-Base interactions energy: -6.544 where: short stacking energy: -5.203 Base-Backbone interact. energy: 0.394 local terms energy: -27.392635 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.508 flat angles P-C4'-P energy: -5.031 tors. eta vs tors. theta energy: -2.923 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: 2 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -31.233936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.233936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.233936 (E_RNA) where: Base-Base interactions energy: -9.019 where: short stacking energy: -9.019 Base-Backbone interact. energy: -0.000 local terms energy: -22.215247 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -2.870 flat angles C4'-P-C4' energy: -6.651 flat angles P-C4'-P energy: -5.308 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: 9, replica: 9 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -30.371957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.371957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.371957 (E_RNA) where: Base-Base interactions energy: -6.402 where: short stacking energy: -6.402 Base-Backbone interact. energy: -0.005 local terms energy: -23.964533 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -4.501 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -4.530 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: 10, replica: 1 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -29.948896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.948896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.948896 (E_RNA) where: Base-Base interactions energy: -7.148 where: short stacking energy: -7.148 Base-Backbone interact. energy: -0.045 local terms energy: -22.756417 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -4.050 flat angles P-C4'-P energy: -2.931 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: 1, replica: 6 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -43.110099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.110099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.110099 (E_RNA) where: Base-Base interactions energy: -14.058 where: short stacking energy: -14.058 Base-Backbone interact. energy: -0.000 local terms energy: -29.051880 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -4.689 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: 2, replica: 7 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -38.548968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.548968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.548968 (E_RNA) where: Base-Base interactions energy: -11.523 where: short stacking energy: -11.523 Base-Backbone interact. energy: -0.030 local terms energy: -26.996039 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -6.751 flat angles P-C4'-P energy: -3.939 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: 3, replica: 4 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -33.872930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.872930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.872930 (E_RNA) where: Base-Base interactions energy: -9.621 where: short stacking energy: -9.621 Base-Backbone interact. energy: -0.151 local terms energy: -24.100783 where: bonds (distance) C4'-P energy: -5.094 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -6.415 flat angles P-C4'-P energy: -4.715 tors. eta vs tors. theta energy: -2.097 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: 3 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -34.871592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.871592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.871592 (E_RNA) where: Base-Base interactions energy: -11.392 where: short stacking energy: -11.392 Base-Backbone interact. energy: -0.045 local terms energy: -23.434677 where: bonds (distance) C4'-P energy: -6.366 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -4.229 flat angles P-C4'-P energy: -4.441 tors. eta vs tors. theta energy: -1.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -36.106856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.106856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.106856 (E_RNA) where: Base-Base interactions energy: -10.790 where: short stacking energy: -10.790 Base-Backbone interact. energy: -0.103 local terms energy: -25.214291 where: bonds (distance) C4'-P energy: -6.580 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.965 flat angles P-C4'-P energy: -3.552 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: 6, replica: 5 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -32.927416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.927416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.927416 (E_RNA) where: Base-Base interactions energy: -4.791 where: short stacking energy: -4.791 Base-Backbone interact. energy: -0.000 local terms energy: -28.136514 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -5.259 flat angles C4'-P-C4' energy: -6.971 flat angles P-C4'-P energy: -5.146 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: 7, replica: 10 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -30.043193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.043193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.043193 (E_RNA) where: Base-Base interactions energy: -7.275 where: short stacking energy: -7.275 Base-Backbone interact. energy: -0.001 local terms energy: -22.767210 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.013 flat angles P-C4'-P energy: -2.233 tors. eta vs tors. theta energy: 0.263 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: 493 Temperature: 1.250000 Total energy: -33.289555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.289555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.289555 (E_RNA) where: Base-Base interactions energy: -8.282 where: short stacking energy: -8.282 Base-Backbone interact. energy: -0.207 local terms energy: -24.801296 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -4.374 tors. eta vs tors. theta energy: -1.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -31.142819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.142819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.142819 (E_RNA) where: Base-Base interactions energy: -8.901 where: short stacking energy: -8.901 Base-Backbone interact. energy: -0.038 local terms energy: -22.204166 where: bonds (distance) C4'-P energy: -3.467 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -6.025 flat angles P-C4'-P energy: -2.507 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: 10, replica: 1 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -28.167423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.167423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.167423 (E_RNA) where: Base-Base interactions energy: -7.936 where: short stacking energy: -7.936 Base-Backbone interact. energy: -0.022 local terms energy: -20.208722 where: bonds (distance) C4'-P energy: -3.969 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.332 flat angles P-C4'-P energy: -3.151 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: 1, replica: 7 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -36.406173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.406173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.406173 (E_RNA) where: Base-Base interactions energy: -11.667 where: short stacking energy: -11.667 Base-Backbone interact. energy: -0.013 local terms energy: -24.726279 where: bonds (distance) C4'-P energy: -4.552 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -5.032 flat angles P-C4'-P energy: -5.280 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: 6 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -35.929018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.929018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.929018 (E_RNA) where: Base-Base interactions energy: -11.858 where: short stacking energy: -11.858 Base-Backbone interact. energy: -0.003 local terms energy: -24.068054 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -5.296 flat angles P-C4'-P energy: -3.429 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: 3 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -37.122611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.122611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.122611 (E_RNA) where: Base-Base interactions energy: -7.792 where: short stacking energy: -7.792 Base-Backbone interact. energy: 0.660 local terms energy: -29.990400 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.134 flat angles P-C4'-P energy: -5.225 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: 4 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -32.518244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.518244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.518244 (E_RNA) where: Base-Base interactions energy: -5.979 where: short stacking energy: -5.979 Base-Backbone interact. energy: 0.821 local terms energy: -27.359873 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -6.451 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: 5 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -36.155446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.155446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.155446 (E_RNA) where: Base-Base interactions energy: -12.267 where: short stacking energy: -12.267 Base-Backbone interact. energy: -0.138 local terms energy: -23.750067 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.397 flat angles C4'-P-C4' energy: -4.140 flat angles P-C4'-P energy: -4.344 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: 6, replica: 8 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -30.964402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.964402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.964402 (E_RNA) where: Base-Base interactions energy: -6.380 where: short stacking energy: -6.380 Base-Backbone interact. energy: -0.105 local terms energy: -24.479516 where: bonds (distance) C4'-P energy: -5.359 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.892 flat angles P-C4'-P energy: -4.464 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: 9 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -34.951051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.951051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.951051 (E_RNA) where: Base-Base interactions energy: -6.450 where: short stacking energy: -6.450 Base-Backbone interact. energy: -0.013 local terms energy: -28.487507 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.625 flat angles P-C4'-P energy: -5.380 tors. eta vs tors. theta energy: -2.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -27.975875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.975875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.975875 (E_RNA) where: Base-Base interactions energy: -6.073 where: short stacking energy: -6.073 Base-Backbone interact. energy: -0.099 local terms energy: -21.804626 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -5.712 flat angles C4'-P-C4' energy: -5.375 flat angles P-C4'-P energy: -3.908 tors. eta vs tors. theta energy: -1.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -29.895942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.895942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.895942 (E_RNA) where: Base-Base interactions energy: -6.939 where: short stacking energy: -6.939 Base-Backbone interact. energy: -0.091 local terms energy: -22.866583 where: bonds (distance) C4'-P energy: -1.278 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.316 flat angles P-C4'-P energy: -4.364 tors. eta vs tors. theta energy: -4.029 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: 10, replica: 2 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -27.258791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.258791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.258791 (E_RNA) where: Base-Base interactions energy: -3.983 where: short stacking energy: -3.983 Base-Backbone interact. energy: -0.133 local terms energy: -23.142964 where: bonds (distance) C4'-P energy: -5.902 bonds (distance) P-C4' energy: -6.731 flat angles C4'-P-C4' energy: -6.271 flat angles P-C4'-P energy: -3.887 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: 1, replica: 7 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -39.427547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.427547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.427547 (E_RNA) where: Base-Base interactions energy: -10.834 where: short stacking energy: -10.834 Base-Backbone interact. energy: -0.089 local terms energy: -28.504509 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -7.093 flat angles P-C4'-P energy: -4.874 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: 2, replica: 3 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -34.197215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.197215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.197215 (E_RNA) where: Base-Base interactions energy: -5.538 where: short stacking energy: -5.538 Base-Backbone interact. energy: -0.410 local terms energy: -28.248880 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.491 flat angles P-C4'-P energy: -6.177 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: 3, replica: 6 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -38.349301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.349301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.349301 (E_RNA) where: Base-Base interactions energy: -7.604 where: short stacking energy: -6.790 Base-Backbone interact. energy: -1.251 local terms energy: -29.494820 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.364 flat angles P-C4'-P energy: -5.322 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: 4, replica: 5 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -30.979161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.979161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.979161 (E_RNA) where: Base-Base interactions energy: -4.037 where: short stacking energy: -4.037 Base-Backbone interact. energy: -0.133 local terms energy: -26.808853 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -7.083 flat angles P-C4'-P energy: -4.926 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: 5, replica: 4 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -35.107833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.107833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.107833 (E_RNA) where: Base-Base interactions energy: -8.423 where: short stacking energy: -7.703 Base-Backbone interact. energy: -0.000 local terms energy: -26.684668 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -2.969 flat angles P-C4'-P energy: -4.278 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: 6, replica: 9 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -33.250419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.250419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.250419 (E_RNA) where: Base-Base interactions energy: -7.855 where: short stacking energy: -7.855 Base-Backbone interact. energy: -0.005 local terms energy: -25.390592 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.519 flat angles C4'-P-C4' energy: -6.727 flat angles P-C4'-P energy: -4.625 tors. eta vs tors. theta energy: -0.836 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: 8 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -31.700764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.700764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.700764 (E_RNA) where: Base-Base interactions energy: -9.226 where: short stacking energy: -9.226 Base-Backbone interact. energy: -0.003 local terms energy: -22.471413 where: bonds (distance) C4'-P energy: -5.106 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.337 flat angles P-C4'-P energy: -2.885 tors. eta vs tors. theta energy: -1.498 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: 1 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -34.128326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.128326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.128326 (E_RNA) where: Base-Base interactions energy: -9.466 where: short stacking energy: -9.466 Base-Backbone interact. energy: -0.000 local terms energy: -24.661898 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -3.805 flat angles P-C4'-P energy: -4.708 tors. eta vs tors. theta energy: -3.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -31.109981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.109981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.109981 (E_RNA) where: Base-Base interactions energy: -3.716 where: short stacking energy: -3.716 Base-Backbone interact. energy: -0.001 local terms energy: -27.393204 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -6.156 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: 10, replica: 2 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -28.724169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.724169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.724169 (E_RNA) where: Base-Base interactions energy: -3.267 where: short stacking energy: -3.013 Base-Backbone interact. energy: -0.125 local terms energy: -25.331743 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -7.283 flat angles P-C4'-P energy: -5.275 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: 1, replica: 3 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -38.182173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.182173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.182173 (E_RNA) where: Base-Base interactions energy: -12.545 where: short stacking energy: -12.545 Base-Backbone interact. energy: -0.006 local terms energy: -25.631663 where: bonds (distance) C4'-P energy: -5.248 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -5.223 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: 2, replica: 7 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -36.050597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.050597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.050597 (E_RNA) where: Base-Base interactions energy: -10.770 where: short stacking energy: -7.827 Base-Backbone interact. energy: -0.130 local terms energy: -25.150918 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -5.149 flat angles P-C4'-P energy: -5.598 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: 3, replica: 5 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -37.011468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.011468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.011468 (E_RNA) where: Base-Base interactions energy: -9.608 where: short stacking energy: -9.608 Base-Backbone interact. energy: -0.002 local terms energy: -27.401508 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.771 flat angles P-C4'-P energy: -5.137 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: 4, replica: 6 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -36.722879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.722879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.722879 (E_RNA) where: Base-Base interactions energy: -10.555 where: short stacking energy: -10.555 Base-Backbone interact. energy: -0.002 local terms energy: -26.166112 where: bonds (distance) C4'-P energy: -4.971 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -7.095 flat angles P-C4'-P energy: -2.911 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: 5, replica: 9 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -30.049814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.049814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.049814 (E_RNA) where: Base-Base interactions energy: -10.750 where: short stacking energy: -10.750 Base-Backbone interact. energy: -0.011 local terms energy: -19.289095 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -4.906 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -4.071 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: 6, replica: 4 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -38.348590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.348590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.348590 (E_RNA) where: Base-Base interactions energy: -15.913 where: short stacking energy: -15.913 Base-Backbone interact. energy: 0.239 local terms energy: -22.673953 where: bonds (distance) C4'-P energy: -4.904 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -5.043 flat angles P-C4'-P energy: -3.924 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: 7, replica: 1 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -29.985364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.985364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.985364 (E_RNA) where: Base-Base interactions energy: -5.021 where: short stacking energy: -5.021 Base-Backbone interact. energy: -0.001 local terms energy: -24.962817 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -6.530 flat angles P-C4'-P energy: -3.301 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: 8, replica: 8 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -29.214954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.214954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.214954 (E_RNA) where: Base-Base interactions energy: -8.803 where: short stacking energy: -8.803 Base-Backbone interact. energy: -0.065 local terms energy: -20.347373 where: bonds (distance) C4'-P energy: -3.613 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -7.148 flat angles P-C4'-P energy: -3.873 tors. eta vs tors. theta energy: -0.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -30.836080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.836080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.836080 (E_RNA) where: Base-Base interactions energy: -9.548 where: short stacking energy: -8.519 Base-Backbone interact. energy: -0.422 local terms energy: -20.865594 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -3.817 flat angles P-C4'-P energy: -3.041 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: 10, replica: 10 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -29.439726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.439726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.439726 (E_RNA) where: Base-Base interactions energy: -6.668 where: short stacking energy: -6.668 Base-Backbone interact. energy: -0.050 local terms energy: -22.721633 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -5.994 flat angles C4'-P-C4' energy: -6.409 flat angles P-C4'-P energy: -5.729 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: 1, replica: 3 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -40.158046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.158046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.158046 (E_RNA) where: Base-Base interactions energy: -12.076 where: short stacking energy: -12.076 Base-Backbone interact. energy: -0.005 local terms energy: -28.077249 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.559 flat angles C4'-P-C4' energy: -6.287 flat angles P-C4'-P energy: -3.869 tors. eta vs tors. theta energy: -4.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -36.953378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.953378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.953378 (E_RNA) where: Base-Base interactions energy: -11.127 where: short stacking energy: -11.127 Base-Backbone interact. energy: -0.028 local terms energy: -25.798415 where: bonds (distance) C4'-P energy: -5.431 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -6.680 flat angles P-C4'-P energy: -4.764 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: 3, replica: 5 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -36.479832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.479832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.479832 (E_RNA) where: Base-Base interactions energy: -9.034 where: short stacking energy: -7.190 Base-Backbone interact. energy: -0.002 local terms energy: -27.444654 where: bonds (distance) C4'-P energy: -3.696 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -5.471 flat angles P-C4'-P energy: -5.851 tors. eta vs tors. theta energy: -5.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -35.219845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.219845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.219845 (E_RNA) where: Base-Base interactions energy: -11.875 where: short stacking energy: -11.875 Base-Backbone interact. energy: -0.014 local terms energy: -23.330739 where: bonds (distance) C4'-P energy: -5.814 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -7.558 flat angles P-C4'-P energy: -1.918 tors. eta vs tors. theta energy: -1.187 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: 5, replica: 6 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -35.914921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.914921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.914921 (E_RNA) where: Base-Base interactions energy: -9.831 where: short stacking energy: -9.831 Base-Backbone interact. energy: -0.001 local terms energy: -26.082806 where: bonds (distance) C4'-P energy: -5.078 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.738 flat angles P-C4'-P energy: -4.279 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: 497 Temperature: 1.150000 Total energy: -36.219155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.219155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.219155 (E_RNA) where: Base-Base interactions energy: -8.786 where: short stacking energy: -8.786 Base-Backbone interact. energy: -0.000 local terms energy: -27.432696 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.914 flat angles P-C4'-P energy: -4.087 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: 7, replica: 4 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -31.658478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.658478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.658478 (E_RNA) where: Base-Base interactions energy: -10.587 where: short stacking energy: -10.587 Base-Backbone interact. energy: -0.006 local terms energy: -21.065752 where: bonds (distance) C4'-P energy: -4.863 bonds (distance) P-C4' energy: -6.367 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -4.888 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: 8, replica: 2 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -31.998415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.998415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.998415 (E_RNA) where: Base-Base interactions energy: -7.115 where: short stacking energy: -7.315 Base-Backbone interact. energy: -0.082 local terms energy: -24.801888 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -2.623 tors. eta vs tors. theta energy: -1.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -29.215097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.215097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.215097 (E_RNA) where: Base-Base interactions energy: -7.168 where: short stacking energy: -7.168 Base-Backbone interact. energy: -0.003 local terms energy: -22.043411 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -4.159 flat angles P-C4'-P energy: -2.986 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: 10 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -28.053681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.053681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.053681 (E_RNA) where: Base-Base interactions energy: -4.798 where: short stacking energy: -4.798 Base-Backbone interact. energy: -0.000 local terms energy: -23.255899 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -6.399 flat angles P-C4'-P energy: -3.694 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: 1, replica: 7 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -37.779989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.779989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.779989 (E_RNA) where: Base-Base interactions energy: -10.968 where: short stacking energy: -10.968 Base-Backbone interact. energy: -0.099 local terms energy: -26.712798 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.741 flat angles P-C4'-P energy: -4.003 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: 2, replica: 3 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -37.528116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.528116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.528116 (E_RNA) where: Base-Base interactions energy: -10.719 where: short stacking energy: -10.719 Base-Backbone interact. energy: -0.030 local terms energy: -26.778976 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -4.527 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: 3, replica: 9 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -42.602801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.602801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.602801 (E_RNA) where: Base-Base interactions energy: -13.916 where: short stacking energy: -13.858 Base-Backbone interact. energy: -0.093 local terms energy: -28.593516 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.309 flat angles P-C4'-P energy: -4.982 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: 4, replica: 5 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -37.664445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.664445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.664445 (E_RNA) where: Base-Base interactions energy: -11.248 where: short stacking energy: -11.248 Base-Backbone interact. energy: 0.836 local terms energy: -27.252442 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.454 flat angles P-C4'-P energy: -5.086 tors. eta vs tors. theta energy: -4.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -35.622417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.622417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.622417 (E_RNA) where: Base-Base interactions energy: -11.042 where: short stacking energy: -10.071 Base-Backbone interact. energy: -0.002 local terms energy: -24.578416 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.441 flat angles P-C4'-P energy: -0.479 tors. eta vs tors. theta energy: -5.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -32.230186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.230186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.230186 (E_RNA) where: Base-Base interactions energy: -6.972 where: short stacking energy: -6.972 Base-Backbone interact. energy: -0.009 local terms energy: -25.249345 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.450 flat angles P-C4'-P energy: -4.063 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: 7, replica: 2 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -30.230225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.230225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.230225 (E_RNA) where: Base-Base interactions energy: -7.607 where: short stacking energy: -7.607 Base-Backbone interact. energy: -0.004 local terms energy: -22.618749 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -5.738 flat angles C4'-P-C4' energy: -6.988 flat angles P-C4'-P energy: -1.215 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: 8, replica: 4 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -31.931181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.931181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.931181 (E_RNA) where: Base-Base interactions energy: -10.672 where: short stacking energy: -10.672 Base-Backbone interact. energy: -0.034 local terms energy: -21.224765 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -4.152 flat angles C4'-P-C4' energy: -3.552 flat angles P-C4'-P energy: -5.132 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: 9, replica: 10 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -32.734721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.734721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.734721 (E_RNA) where: Base-Base interactions energy: -8.560 where: short stacking energy: -8.560 Base-Backbone interact. energy: -0.009 local terms energy: -24.166106 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -3.336 flat angles C4'-P-C4' energy: -6.433 flat angles P-C4'-P energy: -4.287 tors. eta vs tors. theta energy: -4.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -27.193436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.193436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.193436 (E_RNA) where: Base-Base interactions energy: -5.312 where: short stacking energy: -5.312 Base-Backbone interact. energy: -0.005 local terms energy: -21.875924 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -3.612 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -5.340 tors. eta vs tors. theta energy: -1.653 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: 1, replica: 7 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -41.957653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.957653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.957653 (E_RNA) where: Base-Base interactions energy: -13.778 where: short stacking energy: -13.778 Base-Backbone interact. energy: -0.000 local terms energy: -28.179427 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.017 flat angles P-C4'-P energy: -1.728 tors. eta vs tors. theta energy: -5.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -36.271774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.271774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.271774 (E_RNA) where: Base-Base interactions energy: -9.682 where: short stacking energy: -9.682 Base-Backbone interact. energy: -0.022 local terms energy: -26.567758 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.376 flat angles P-C4'-P energy: -5.959 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: 3, replica: 3 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -33.091435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.091435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.091435 (E_RNA) where: Base-Base interactions energy: -10.207 where: short stacking energy: -9.974 Base-Backbone interact. energy: -1.435 local terms energy: -21.449106 where: bonds (distance) C4'-P energy: -3.835 bonds (distance) P-C4' energy: -6.603 flat angles C4'-P-C4' energy: -4.062 flat angles P-C4'-P energy: -4.901 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: 4, replica: 1 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -36.464485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.464485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.464485 (E_RNA) where: Base-Base interactions energy: -9.763 where: short stacking energy: -9.763 Base-Backbone interact. energy: -0.000 local terms energy: -26.700897 where: bonds (distance) C4'-P energy: -6.072 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.335 flat angles P-C4'-P energy: -4.311 tors. eta vs tors. theta energy: -3.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -35.299201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.299201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.299201 (E_RNA) where: Base-Base interactions energy: -8.482 where: short stacking energy: -8.482 Base-Backbone interact. energy: -0.016 local terms energy: -26.801789 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -7.549 flat angles P-C4'-P energy: -4.922 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: 6, replica: 2 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -36.430594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.430594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.430594 (E_RNA) where: Base-Base interactions energy: -7.513 where: short stacking energy: -7.513 Base-Backbone interact. energy: -0.009 local terms energy: -28.909268 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.121 flat angles P-C4'-P energy: -5.409 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: 7, replica: 6 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -29.093370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.093370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.093370 (E_RNA) where: Base-Base interactions energy: -4.241 where: short stacking energy: -4.241 Base-Backbone interact. energy: -0.060 local terms energy: -24.791782 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -5.745 flat angles C4'-P-C4' energy: -6.055 flat angles P-C4'-P energy: -5.613 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: 10 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -36.887874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.887874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.887874 (E_RNA) where: Base-Base interactions energy: -11.408 where: short stacking energy: -11.408 Base-Backbone interact. energy: -0.000 local terms energy: -25.479744 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.868 flat angles P-C4'-P energy: -3.163 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: 9, replica: 4 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -31.009868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.009868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.009868 (E_RNA) where: Base-Base interactions energy: -6.603 where: short stacking energy: -7.213 Base-Backbone interact. energy: -0.000 local terms energy: -24.406585 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -4.694 flat angles C4'-P-C4' energy: -5.805 flat angles P-C4'-P energy: -5.231 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: 10, replica: 8 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -33.231295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.231295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.231295 (E_RNA) where: Base-Base interactions energy: -7.074 where: short stacking energy: -7.074 Base-Backbone interact. energy: -0.000 local terms energy: -26.157620 where: bonds (distance) C4'-P energy: -5.413 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.581 flat angles P-C4'-P energy: -3.689 tors. eta vs tors. theta energy: -3.909 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: 1, replica: 9 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -39.366475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.366475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.366475 (E_RNA) where: Base-Base interactions energy: -13.284 where: short stacking energy: -13.284 Base-Backbone interact. energy: -0.003 local terms energy: -26.079202 where: bonds (distance) C4'-P energy: -6.291 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -7.384 flat angles P-C4'-P energy: -2.431 tors. eta vs tors. theta energy: -3.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -33.596598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.596598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.596598 (E_RNA) where: Base-Base interactions energy: -8.024 where: short stacking energy: -8.024 Base-Backbone interact. energy: -0.076 local terms energy: -25.496061 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.449 flat angles P-C4'-P energy: -3.261 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: 3, replica: 3 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -35.630037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.630037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.630037 (E_RNA) where: Base-Base interactions energy: -10.852 where: short stacking energy: -10.852 Base-Backbone interact. energy: -0.002 local terms energy: -24.776469 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -5.042 flat angles P-C4'-P energy: -4.319 tors. eta vs tors. theta energy: -2.315 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: 4, replica: 1 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -37.587969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.587969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.587969 (E_RNA) where: Base-Base interactions energy: -10.162 where: short stacking energy: -10.162 Base-Backbone interact. energy: -0.000 local terms energy: -27.425971 where: bonds (distance) C4'-P energy: -4.586 bonds (distance) P-C4' energy: -5.164 flat angles C4'-P-C4' energy: -5.678 flat angles P-C4'-P energy: -5.426 tors. eta vs tors. theta energy: -6.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -31.811614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.811614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.811614 (E_RNA) where: Base-Base interactions energy: -8.991 where: short stacking energy: -8.991 Base-Backbone interact. energy: -0.008 local terms energy: -22.812239 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -3.440 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: 6, replica: 5 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -33.037448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.037448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.037448 (E_RNA) where: Base-Base interactions energy: -6.584 where: short stacking energy: -6.584 Base-Backbone interact. energy: -0.083 local terms energy: -26.370529 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -6.026 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: 6 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -32.094707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.094707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.094707 (E_RNA) where: Base-Base interactions energy: -7.225 where: short stacking energy: -7.225 Base-Backbone interact. energy: -0.086 local terms energy: -24.783341 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -5.810 flat angles P-C4'-P energy: -5.389 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: 8, replica: 10 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -34.044917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.044917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.044917 (E_RNA) where: Base-Base interactions energy: -10.420 where: short stacking energy: -10.420 Base-Backbone interact. energy: -0.008 local terms energy: -23.616832 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.091 flat angles C4'-P-C4' energy: -4.710 flat angles P-C4'-P energy: -4.401 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: 8 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -32.597028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.597028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.597028 (E_RNA) where: Base-Base interactions energy: -8.376 where: short stacking energy: -8.376 Base-Backbone interact. energy: -0.067 local terms energy: -24.154086 where: bonds (distance) C4'-P energy: -4.709 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.628 flat angles P-C4'-P energy: -4.566 tors. eta vs tors. theta energy: -3.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -28.695649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.695649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.695649 (E_RNA) where: Base-Base interactions energy: -5.733 where: short stacking energy: -5.733 Base-Backbone interact. energy: -0.087 local terms energy: -22.875048 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -4.990 flat angles P-C4'-P energy: -5.374 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: 1, replica: 9 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -33.382137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.382137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.382137 (E_RNA) where: Base-Base interactions energy: -9.420 where: short stacking energy: -7.574 Base-Backbone interact. energy: -0.078 local terms energy: -23.883946 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.183 flat angles P-C4'-P energy: -4.546 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: 2, replica: 3 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -39.038716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.038716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.038716 (E_RNA) where: Base-Base interactions energy: -15.489 where: short stacking energy: -12.570 Base-Backbone interact. energy: -0.034 local terms energy: -23.516023 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -7.026 flat angles P-C4'-P energy: -3.659 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: 3, replica: 7 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -37.254787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.254787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.254787 (E_RNA) where: Base-Base interactions energy: -10.351 where: short stacking energy: -10.351 Base-Backbone interact. energy: -0.068 local terms energy: -26.836561 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.163 flat angles P-C4'-P energy: -4.923 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: 2 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -35.313496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.313496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.313496 (E_RNA) where: Base-Base interactions energy: -11.871 where: short stacking energy: -11.871 Base-Backbone interact. energy: -0.003 local terms energy: -23.439860 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.186 flat angles P-C4'-P energy: -3.762 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: 5, replica: 1 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -42.290112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.290112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.290112 (E_RNA) where: Base-Base interactions energy: -13.809 where: short stacking energy: -13.809 Base-Backbone interact. energy: -0.003 local terms energy: -28.478484 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.810 flat angles P-C4'-P energy: -4.370 tors. eta vs tors. theta energy: -6.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -35.023252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.023252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.023252 (E_RNA) where: Base-Base interactions energy: -9.131 where: short stacking energy: -9.131 Base-Backbone interact. energy: -0.183 local terms energy: -25.708722 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -3.563 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: 7, replica: 6 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -30.584049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.584049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.584049 (E_RNA) where: Base-Base interactions energy: -6.172 where: short stacking energy: -6.172 Base-Backbone interact. energy: -0.000 local terms energy: -24.412120 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.155 flat angles P-C4'-P energy: -2.500 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: 8, replica: 8 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -34.612443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.612443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.612443 (E_RNA) where: Base-Base interactions energy: -7.281 where: short stacking energy: -6.392 Base-Backbone interact. energy: -0.000 local terms energy: -27.331667 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.220 flat angles P-C4'-P energy: -5.194 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: 9, replica: 10 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -28.930862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.930862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.930862 (E_RNA) where: Base-Base interactions energy: -3.803 where: short stacking energy: -3.803 Base-Backbone interact. energy: -0.233 local terms energy: -24.894989 where: bonds (distance) C4'-P energy: -6.126 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.530 flat angles P-C4'-P energy: -4.271 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: 10, replica: 4 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -28.327345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.327345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.327345 (E_RNA) where: Base-Base interactions energy: -3.238 where: short stacking energy: -3.238 Base-Backbone interact. energy: -0.003 local terms energy: -25.086113 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.943 flat angles P-C4'-P energy: -4.199 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) replica 9 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 10673446 moves confirmed later: 14099068 all moves confirmed: 24772514 percent of confirmed moves: 3.096564 current total energy: -16.036646 recalc. total energy: -16.036646 replica 3 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 10719653 moves confirmed later: 14155269 all moves confirmed: 24874922 percent of confirmed moves: 3.109365 current total energy: -1.786538 recalc. total energy: -1.786538 replica 2 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 10667298 moves confirmed later: 14076055 all moves confirmed: 24743353 percent of confirmed moves: 3.092919 current total energy: -7.245160 recalc. total energy: -7.245160 replica 7 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 10698710 moves confirmed later: 14126514 all moves confirmed: 24825224 percent of confirmed moves: 3.103153 current total energy: -13.841331 recalc. total energy: -13.841331 replica 1 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 10614822 moves confirmed later: 14002757 all moves confirmed: 24617579 percent of confirmed moves: 3.077197 current total energy: -21.375223 recalc. total energy: -21.375223 replica 5 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 10651170 moves confirmed later: 14055260 all moves confirmed: 24706430 percent of confirmed moves: 3.088304 current total energy: -11.957457 recalc. total energy: -11.957457 replica 8 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 10643105 moves confirmed later: 14035007 all moves confirmed: 24678112 percent of confirmed moves: 3.084764 current total energy: -5.787997 recalc. total energy: -5.787997 replica 6 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 10667110 moves confirmed later: 14079964 all moves confirmed: 24747074 percent of confirmed moves: 3.093384 current total energy: -12.381861 recalc. total energy: -12.381861 replica 4 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 10646894 moves confirmed later: 14066502 all moves confirmed: 24713396 percent of confirmed moves: 3.089174 current total energy: -22.761162 recalc. total energy: -22.761162 replica 10 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 10699817 moves confirmed later: 14121375 all moves confirmed: 24821192 percent of confirmed moves: 3.102649 current total energy: -4.542502 recalc. total energy: -4.542502 out arg RESULTS//1/7q4l_rna-3f55268f_01 Time of doing 8000000 iterations: 338.574 seconds